 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer12_STD_B3LYPDBJ_augccpVDZ.in
 Output=26_junionone_conformer12_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-207862.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    207868.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer12_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:57:07 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer12_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.485536000000     -1.394131000000      1.201364000000
  C                                                 1.966773000000     -0.392200000000      0.165915000000
  C                                                 0.868394000000      0.353659000000     -0.698378000000
  C                                                -0.497714000000      0.352190000000     -0.124912000000
  C                                                -1.585230000000     -0.118716000000     -0.740357000000
  C                                                -2.947927000000     -0.130962000000     -0.173989000000
  O                                                -3.869650000000     -0.592319000000     -0.821022000000
  C                                                 3.006329000000     -1.028151000000     -0.749724000000
  C                                                 2.432922000000      0.991915000000      0.695754000000
  C                                                 1.648186000000      1.678903000000     -0.442484000000
  C                                                -3.180010000000      0.431009000000      1.214107000000
  H                                                 3.509420000000      1.160900000000      0.735423000000
  H                                                 2.013908000000      1.213736000000      1.678261000000
  H                                                 0.832257000000      0.021669000000     -1.736686000000
  H                                                 1.043279000000      2.544670000000     -0.175495000000
  H                                                 2.275831000000      1.947927000000     -1.290478000000
  H                                                 2.329017000000     -1.760136000000      1.792254000000
  H                                                 1.010690000000     -2.255206000000      0.725171000000
  H                                                 0.763959000000     -0.954931000000      1.891159000000
  H                                                 2.586445000000     -1.890920000000     -1.272224000000
  H                                                 3.868238000000     -1.369574000000     -0.171198000000
  H                                                 3.366384000000     -0.323153000000     -1.501537000000
  H                                                -0.599262000000      0.771738000000      0.871956000000
  H                                                -1.515981000000     -0.539617000000     -1.738100000000
  H                                                -2.885796000000      1.481413000000      1.263267000000
  H                                                -2.589096000000     -0.110594000000      1.955779000000
  H                                                -4.235638000000      0.339532000000      1.456836000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 19:57:07 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.485536   -1.394131    1.201364
      2          6           0        1.966773   -0.392200    0.165915
      3          6           0        0.868394    0.353659   -0.698378
      4          6           0       -0.497714    0.352190   -0.124912
      5          6           0       -1.585230   -0.118716   -0.740357
      6          6           0       -2.947927   -0.130962   -0.173989
      7          8           0       -3.869650   -0.592319   -0.821022
      8          6           0        3.006329   -1.028151   -0.749724
      9          6           0        2.432922    0.991915    0.695754
     10          6           0        1.648186    1.678903   -0.442484
     11          6           0       -3.180010    0.431009    1.214107
     12          1           0        3.509420    1.160900    0.735423
     13          1           0        2.013908    1.213736    1.678261
     14          1           0        0.832257    0.021669   -1.736686
     15          1           0        1.043279    2.544670   -0.175495
     16          1           0        2.275831    1.947927   -1.290478
     17          1           0        2.329017   -1.760136    1.792254
     18          1           0        1.010690   -2.255206    0.725171
     19          1           0        0.763959   -0.954931    1.891159
     20          1           0        2.586445   -1.890920   -1.272224
     21          1           0        3.868238   -1.369574   -0.171198
     22          1           0        3.366384   -0.323153   -1.501537
     23          1           0       -0.599262    0.771738    0.871956
     24          1           0       -1.515981   -0.539617   -1.738100
     25          1           0       -2.885796    1.481413    1.263267
     26          1           0       -2.589096   -0.110594    1.955779
     27          1           0       -4.235638    0.339532    1.456836
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.519082   0.000000
     3  C    2.654177   1.584217   0.000000
     4  C    2.956675   2.590829   1.481593   0.000000
     5  C    3.850528   3.675983   2.499034   1.335371   0.000000
     6  C    4.810695   4.933362   3.882544   2.497877   1.475759
     7  O    5.780222   5.922662   4.833113   3.570241   2.334391
     8  C    2.500699   1.524305   2.546135   3.817597   4.680766
     9  C    2.616562   1.553640   2.190599   3.109882   4.409247
    10  C    3.488872   2.181998   1.558791   2.542815   3.711488
    11  C    5.009852   5.316555   4.478075   2.998983   2.581753
    12  H    3.292627   2.261906   3.111662   4.177477   5.456263
    13  H    2.703253   2.206455   2.774950   3.209663   4.536401
    14  H    3.326169   2.253509   1.090691   2.115628   2.618515
    15  H    4.195889   3.097516   2.259319   2.680333   3.784409
    16  H    4.243017   2.773588   2.207522   3.405506   4.413778
    17  H    1.092964   2.155794   3.578379   4.015950   4.942642
    18  H    1.092561   2.167407   2.975385   3.129926   3.667583
    19  H    1.090590   2.177130   2.903277   2.713840   3.625303
    20  H    2.752715   2.167579   2.884291   3.982450   4.563602
    21  H    2.749872   2.164365   3.499502   4.693416   5.623958
    22  H    3.462695   2.178090   2.709814   4.157215   5.013948
    23  H    3.024216   2.904786   2.189692   1.086314   2.089161
    24  H    4.287161   3.971974   2.750311   2.105840   1.085101
    25  H    5.232698   5.316205   4.383357   2.984145   2.875134
    26  H    4.338114   4.902944   4.383414   2.986189   2.876971
    27  H    5.983535   6.377445   5.540423   4.058838   3.473084
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.216994   0.000000
     8  C    6.048932   6.890147   0.000000
     9  C    5.565145   6.673292   2.549288   0.000000
    10  C    4.946914   5.978984   3.044190   1.543810   0.000000
    11  C    1.515416   2.380032   6.652561   5.664655   5.254808
    12  H    6.647802   7.742543   2.692714   1.090402   2.262738
    13  H    5.464325   6.642628   3.450517   1.090916   2.201748
    14  H    4.093301   4.829426   2.608219   3.069246   2.255465
    15  H    4.805074   5.864663   4.116838   2.258590   1.089380
    16  H    5.732013   6.666346   3.111765   2.209922   1.088764
    17  H    5.862291   6.827626   2.730605   2.964269   4.157472
    18  H    4.581654   5.382715   2.768313   3.545053   4.152955
    19  H    4.326876   5.381240   3.465234   2.829247   3.628337
    20  H    5.910401   6.600842   1.092556   3.493887   3.783178
    21  H    6.927790   7.803929   1.092771   2.896268   3.780931
    22  H    6.455218   7.272946   1.091735   2.725590   2.842890
    23  H    2.724903   3.927119   4.343931   3.045269   2.757122
    24  H    2.159609   2.526572   4.654765   4.884984   4.075832
    25  H    2.160861   3.100418   6.713209   5.371261   4.848256
    26  H    2.159881   3.095562   6.282550   5.293756   5.187343
    27  H    2.130529   2.488158   7.693215   6.743481   6.326193
                   11         12         13         14         15
    11  C    0.000000
    12  H    6.746136   0.000000
    13  H    5.273034   1.768698   0.000000
    14  H    4.997302   3.817902   3.805153   0.000000
    15  H    4.922878   2.970933   2.479903   2.974455   0.000000
    16  H    6.191945   2.499085   3.069373   2.448158   1.765920
    17  H    5.956908   3.323055   2.992692   4.227119   4.904744
    18  H    5.001677   4.232439   3.734754   3.358085   4.883756
    19  H    4.234870   3.653768   2.512133   3.757615   4.073854
    20  H    6.695162   3.767776   4.321117   2.636455   4.822721
    21  H    7.405334   2.711828   3.678659   3.688291   4.827185
    22  H    7.127325   2.688282   3.781843   2.568267   3.921685
    23  H    2.625533   4.129329   2.770225   3.068691   2.634081
    24  H    3.525143   5.853608   5.215926   2.414387   4.301671
    25  H    1.091937   6.424962   4.924527   4.995447   4.317196
    26  H    1.092058   6.348060   4.797761   5.035618   4.978645
    27  H    1.087031   7.821829   6.314276   5.998598   5.949294
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.822426   0.000000
    18  H    4.830088   1.766846   0.000000
    19  H    4.564554   1.762823   1.763837   0.000000
    20  H    3.851436   3.078051   2.570077   3.768889   0.000000
    21  H    3.846344   2.525249   3.123044   3.749906   1.768348
    22  H    2.528172   3.740335   3.773639   4.322285   1.766008
    23  H    3.784931   3.978964   3.431600   2.424568   4.672899
    24  H    4.556981   5.360697   3.923648   4.306058   4.344302
    25  H    5.777685   6.162933   5.425355   4.432915   6.909903
    26  H    6.200259   5.189948   4.367175   3.458332   6.354195
    27  H    7.248027   6.900421   5.898471   5.182687   7.678770
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.765405   0.000000
    23  H    5.062800   4.749590   0.000000
    24  H    5.668670   4.892883   3.061441   0.000000
    25  H    7.470127   7.070386   2.425902   3.869000   0.000000
    26  H    6.914205   6.889554   2.431588   3.870449   1.761275
    27  H    8.440636   8.184245   3.708385   4.286847   1.778605
                   26         27
    26  H    0.000000
    27  H    1.778386   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.99D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.485536   -1.394131    1.201364
      2          6           0        1.966773   -0.392200    0.165915
      3          6           0        0.868394    0.353659   -0.698378
      4          6           0       -0.497714    0.352190   -0.124912
      5          6           0       -1.585230   -0.118716   -0.740357
      6          6           0       -2.947927   -0.130962   -0.173989
      7          8           0       -3.869650   -0.592319   -0.821022
      8          6           0        3.006329   -1.028151   -0.749724
      9          6           0        2.432922    0.991915    0.695754
     10          6           0        1.648186    1.678903   -0.442484
     11          6           0       -3.180010    0.431009    1.214107
     12          1           0        3.509420    1.160900    0.735423
     13          1           0        2.013908    1.213736    1.678261
     14          1           0        0.832257    0.021669   -1.736686
     15          1           0        1.043279    2.544670   -0.175495
     16          1           0        2.275831    1.947927   -1.290478
     17          1           0        2.329017   -1.760136    1.792254
     18          1           0        1.010690   -2.255206    0.725171
     19          1           0        0.763959   -0.954931    1.891159
     20          1           0        2.586445   -1.890920   -1.272224
     21          1           0        3.868238   -1.369574   -0.171198
     22          1           0        3.366384   -0.323153   -1.501537
     23          1           0       -0.599262    0.771738    0.871956
     24          1           0       -1.515981   -0.539617   -1.738100
     25          1           0       -2.885796    1.481413    1.263267
     26          1           0       -2.589096   -0.110594    1.955779
     27          1           0       -4.235638    0.339532    1.456836
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.1948938           0.5074064           0.4967916
 Leave Link  202 at Thu Aug 12 19:57:07 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       610.1943807680 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0455580233 Hartrees.
 Nuclear repulsion after empirical dispersion term =      610.1488227447 Hartrees.
 Leave Link  301 at Thu Aug 12 19:57:09 2021, MaxMem=  5368709120 cpu:              10.9 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  2.45D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Aug 12 19:57:09 2021, MaxMem=  5368709120 cpu:               3.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:57:10 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer12_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:57:10 2021, MaxMem=  5368709120 cpu:               3.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368350547 LenY=  5368174545
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.979550389244    
 DIIS: error= 1.67D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.979550389244     IErMin= 1 ErrMin= 1.67D-03
 ErrMax= 1.67D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.12D-03 BMatP= 5.12D-03
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.67D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.190 Goal=   None    Shift=    0.000
 GapD=    0.190 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.91D-02 MaxDP=6.94D+00              OVMax= 1.73D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.97D-02    CP:  1.78D+00
 E= -465.983983607983     Delta-E=       -0.004433218739 Rises=F Damp=F
 DIIS: error= 2.92D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.983983607983     IErMin= 2 ErrMin= 2.92D-04
 ErrMax= 2.92D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.25D-04 BMatP= 5.12D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.92D-03
 Coeff-Com:  0.231D-01 0.977D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.231D-01 0.977D+00
 Gap=     0.194 Goal=   None    Shift=    0.000
 RMSDP=1.10D-03 MaxDP=1.96D-01 DE=-4.43D-03 OVMax= 8.46D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.41D-04    CP:  1.80D+00  1.03D+00
 E= -465.983670936627     Delta-E=        0.000312671356 Rises=F Damp=F
 DIIS: error= 6.40D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -465.983983607983     IErMin= 2 ErrMin= 2.92D-04
 ErrMax= 6.40D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.16D-04 BMatP= 1.25D-04
 IDIUse=3 WtCom= 2.83D-01 WtEn= 7.17D-01
 Coeff-Com: -0.807D-02 0.679D+00 0.329D+00
 Coeff-En:   0.000D+00 0.754D+00 0.246D+00
 Coeff:     -0.229D-02 0.733D+00 0.269D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=1.36D-04 MaxDP=1.04D-02 DE= 3.13D-04 OVMax= 5.23D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.08D-04    CP:  1.80D+00  1.03D+00  8.55D-01
 E= -465.984078995739     Delta-E=       -0.000408059112 Rises=F Damp=F
 DIIS: error= 8.31D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.984078995739     IErMin= 4 ErrMin= 8.31D-05
 ErrMax= 8.31D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-05 BMatP= 1.25D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.482D-02 0.241D+00 0.134D-01 0.750D+00
 Coeff:     -0.482D-02 0.241D+00 0.134D-01 0.750D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=6.82D-05 MaxDP=5.93D-03 DE=-4.08D-04 OVMax= 7.37D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.15D-05    CP:  1.80D+00  1.03D+00  8.24D-01  1.27D+00
 E= -465.984088130952     Delta-E=       -0.000009135213 Rises=F Damp=F
 DIIS: error= 1.84D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.984088130952     IErMin= 5 ErrMin= 1.84D-05
 ErrMax= 1.84D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.71D-07 BMatP= 1.10D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.109D-02 0.202D-01-0.357D-01 0.372D+00 0.644D+00
 Coeff:     -0.109D-02 0.202D-01-0.357D-01 0.372D+00 0.644D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=1.38D-05 MaxDP=1.28D-03 DE=-9.14D-06 OVMax= 1.27D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.04D-05    CP:  1.80D+00  1.03D+00  8.35D-01  1.28D+00  7.93D-01
 E= -465.984088595692     Delta-E=       -0.000000464740 Rises=F Damp=F
 DIIS: error= 3.75D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.984088595692     IErMin= 6 ErrMin= 3.75D-06
 ErrMax= 3.75D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.40D-08 BMatP= 4.71D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.390D-03 0.180D-02-0.190D-01 0.168D+00 0.328D+00 0.522D+00
 Coeff:     -0.390D-03 0.180D-02-0.190D-01 0.168D+00 0.328D+00 0.522D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=3.21D-06 MaxDP=3.02D-04 DE=-4.65D-07 OVMax= 6.42D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.55D-06    CP:  1.80D+00  1.03D+00  8.36D-01  1.28D+00  8.20D-01
                    CP:  9.43D-01
 E= -465.984088617217     Delta-E=       -0.000000021525 Rises=F Damp=F
 DIIS: error= 1.28D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.984088617217     IErMin= 7 ErrMin= 1.28D-06
 ErrMax= 1.28D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.44D-09 BMatP= 2.40D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.538D-04-0.145D-02-0.461D-02 0.338D-01 0.721D-01 0.266D+00
 Coeff-Com:  0.634D+00
 Coeff:     -0.538D-04-0.145D-02-0.461D-02 0.338D-01 0.721D-01 0.266D+00
 Coeff:      0.634D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=1.08D-06 MaxDP=1.13D-04 DE=-2.15D-08 OVMax= 2.96D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.45D-07    CP:  1.80D+00  1.03D+00  8.37D-01  1.28D+00  8.26D-01
                    CP:  9.73D-01  9.46D-01
 E= -465.984088619285     Delta-E=       -0.000000002068 Rises=F Damp=F
 DIIS: error= 5.88D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.984088619285     IErMin= 8 ErrMin= 5.88D-07
 ErrMax= 5.88D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.55D-10 BMatP= 2.44D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.380D-05-0.103D-02-0.145D-02 0.851D-02 0.204D-01 0.122D+00
 Coeff-Com:  0.388D+00 0.463D+00
 Coeff:     -0.380D-05-0.103D-02-0.145D-02 0.851D-02 0.204D-01 0.122D+00
 Coeff:      0.388D+00 0.463D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=3.70D-07 MaxDP=3.05D-05 DE=-2.07D-09 OVMax= 1.19D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.50D-07    CP:  1.80D+00  1.03D+00  8.37D-01  1.28D+00  8.23D-01
                    CP:  9.76D-01  9.24D-01  8.02D-01
 E= -465.984088619783     Delta-E=       -0.000000000497 Rises=F Damp=F
 DIIS: error= 1.20D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.984088619783     IErMin= 9 ErrMin= 1.20D-07
 ErrMax= 1.20D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.18D-11 BMatP= 4.55D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.555D-05-0.278D-03 0.112D-04-0.105D-02-0.984D-03 0.202D-01
 Coeff-Com:  0.950D-01 0.219D+00 0.668D+00
 Coeff:      0.555D-05-0.278D-03 0.112D-04-0.105D-02-0.984D-03 0.202D-01
 Coeff:      0.950D-01 0.219D+00 0.668D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=9.74D-08 MaxDP=6.71D-06 DE=-4.97D-10 OVMax= 1.50D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.53D-08    CP:  1.80D+00  1.03D+00  8.37D-01  1.28D+00  8.24D-01
                    CP:  9.78D-01  9.35D-01  8.49D-01  8.99D-01
 E= -465.984088619815     Delta-E=       -0.000000000033 Rises=F Damp=F
 DIIS: error= 2.48D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.984088619815     IErMin=10 ErrMin= 2.48D-08
 ErrMax= 2.48D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.17D-13 BMatP= 2.18D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.254D-05-0.805D-04 0.470D-04-0.676D-03-0.973D-03 0.422D-02
 Coeff-Com:  0.246D-01 0.741D-01 0.276D+00 0.622D+00
 Coeff:      0.254D-05-0.805D-04 0.470D-04-0.676D-03-0.973D-03 0.422D-02
 Coeff:      0.246D-01 0.741D-01 0.276D+00 0.622D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=1.88D-08 MaxDP=7.93D-07 DE=-3.25D-11 OVMax= 2.63D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.40D-08    CP:  1.80D+00  1.03D+00  8.37D-01  1.28D+00  8.24D-01
                    CP:  9.78D-01  9.37D-01  8.58D-01  9.17D-01  9.48D-01
 E= -465.984088619782     Delta-E=        0.000000000033 Rises=F Damp=F
 DIIS: error= 9.95D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -465.984088619815     IErMin=11 ErrMin= 9.95D-09
 ErrMax= 9.95D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-13 BMatP= 9.17D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.584D-06-0.743D-05 0.224D-04-0.227D-03-0.401D-03-0.214D-03
 Coeff-Com:  0.119D-02 0.118D-01 0.583D-01 0.296D+00 0.634D+00
 Coeff:      0.584D-06-0.743D-05 0.224D-04-0.227D-03-0.401D-03-0.214D-03
 Coeff:      0.119D-02 0.118D-01 0.583D-01 0.296D+00 0.634D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=6.62D-09 MaxDP=6.40D-07 DE= 3.34D-11 OVMax= 8.67D-08

 SCF Done:  E(RB3LYP) =  -465.984088620     A.U. after   11 cycles
            NFock= 11  Conv=0.66D-08     -V/T= 2.0061
 KE= 4.631416129587D+02 PE=-2.301696039721D+03 EE= 7.624215153976D+02
 Leave Link  502 at Thu Aug 12 20:00:44 2021, MaxMem=  5368709120 cpu:            1702.2 elap:             213.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.96100663D+02

 Leave Link  801 at Thu Aug 12 20:00:44 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 7.29D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 2.62D-01 7.29D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 5.82D-02 8.15D-02.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 6.83D-03 2.35D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 5.47D-04 6.23D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 2.66D-05 7.53D-04.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 5.50D-07 1.17D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 9.65D-09 2.10D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 1.66D-10 2.79D-06.
      9 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 1.64D-12 1.59D-07.
      3 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 4.20D-14 2.30D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   111 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.178729D+03
      2  0.753820D+01  0.112753D+03
      3  0.492515D+01  0.447053D+01  0.115668D+03
 Isotropic polarizability for W=    0.085645      135.72 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.776322D+02 -0.478462D+02 -0.237614D+02
      2   0.663057D+02  0.430594D+02 -0.547122D+01
      3   0.113264D+02  0.478680D+01  0.292326D+02
      4  -0.451990D+02  0.104528D+03 -0.427965D+02
      5  -0.207243D+02 -0.484466D+02  0.233841D+02
      6  -0.254536D+02  0.144552D+02 -0.105600D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.101237D+02  0.985927D+01 -0.316051D+01
      2   0.186518D+02 -0.125138D+02  0.147591D+02
      3   0.321830D+02 -0.461139D+02  0.212522D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.565009D+01  0.199264D+02  0.153468D+02
      2  -0.303707D+01 -0.173430D+02  0.120576D+02
      3   0.264724D+01 -0.382222D+02  0.229931D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.295669D+01 -0.501662D+01 -0.500637D+01
      2  -0.501662D+01  0.122848D+01  0.456815D+01
      3  -0.500637D+01  0.456815D+01 -0.557048D+01
 OR G Eigenvalues:    -8.5065    -2.9878    10.1089  Iso=     0.4618
 Eigenvectors:
   (1)   0.274019  -0.289197   0.917213
   (2)   0.662861   0.747791   0.037748
   (3)   0.696800  -0.597641  -0.396606
 w=    0.085645 a.u., Optical Rotation Beta=      0.4618 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      143.86 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 2.14D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.01D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 4.44D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 2.53D-02 2.57D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 1.78D-03 7.52D-03.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 2.59D-05 7.18D-04.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 3.28D-07 4.89D-05.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 2.19D-09 4.39D-06.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 8.33D-12 2.45D-07.
      8 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 2.19D-14 1.93D-08.
      1 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 2.74D-15 5.65D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.66D-15
 Solved reduced A of dimension   219 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 6.59D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 6.59D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.76D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.178729D+03  0.753820D+01  0.492515D+01
      2   0.753820D+01  0.112753D+03  0.447053D+01
      3   0.492515D+01  0.447053D+01  0.115668D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.101237D+02  0.985927D+01 -0.316051D+01
      2   0.186518D+02 -0.125138D+02  0.147591D+02
      3   0.321830D+02 -0.461139D+02  0.212522D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.776322D+02 -0.478462D+02 -0.237614D+02
      2   0.663057D+02  0.430594D+02 -0.547122D+01
      3   0.113264D+02  0.478680D+01  0.292326D+02
      4  -0.451990D+02  0.104528D+03 -0.427965D+02
      5  -0.207243D+02 -0.484466D+02  0.233841D+02
      6  -0.254536D+02  0.144552D+02 -0.105600D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.313190D+01  0.163689D+01 -0.464766D+01  0.578071D+00  0.993195D+00
      2   0.163689D+01  0.754476D+00  0.402955D+01  0.993195D+00  0.366720D+01
      3  -0.464766D+01  0.402955D+01 -0.662510D+00  0.407441D+01  0.133384D+01
                 6             7             8             9            10 
      1   0.407441D+01 -0.471716D+01  0.406315D+01 -0.443422D+00  0.249149D+02
      2   0.133384D+01  0.406315D+01  0.220989D+01 -0.390392D+00 -0.260323D+01
      3  -0.133105D+01 -0.443422D+00 -0.390392D+00 -0.199551D+01  0.594189D+01
                11            12            13            14            15 
      1  -0.260323D+01  0.594189D+01 -0.751027D+01  0.162222D+01 -0.514476D+01
      2   0.227421D+00 -0.389658D+01  0.162222D+01 -0.511959D+01 -0.285805D+01
      3  -0.389658D+01  0.189729D+00 -0.514476D+01 -0.285805D+01  0.251997D-01
                16            17            18            19            20 
      1   0.209823D+02 -0.485897D+01  0.208053D+01 -0.481407D+02 -0.224086D+01
      2  -0.485897D+01 -0.242644D+01  0.416829D+00 -0.224086D+01 -0.492787D+01
      3   0.208053D+01  0.416829D+00  0.114838D+01 -0.444720D+01  0.130952D+01
                21            22            23            24            25 
      1  -0.444720D+01  0.533135D+01 -0.924149D+01  0.329545D+01 -0.103361D+02
      2   0.130952D+01 -0.924149D+01 -0.194161D+01 -0.531966D+00  0.257468D+01
      3  -0.762212D+00  0.329545D+01 -0.531966D+00  0.320756D+01 -0.807600D+00
                26            27            28            29            30 
      1   0.257468D+01 -0.807600D+00  0.646419D+02  0.626497D+01  0.453920D+01
      2  -0.134780D+01  0.305459D+01  0.626497D+01  0.371893D+01 -0.231784D+00
      3   0.305459D+01  0.382121D+01  0.453920D+01 -0.231784D+00  0.198764D+01
                31            32            33            34            35 
      1   0.138954D+02  0.741734D+01 -0.790832D+00  0.988278D+01 -0.827458D-01
      2   0.741734D+01  0.403650D+01 -0.187717D+00 -0.827458D-01  0.103708D+01
      3  -0.790832D+00 -0.187717D+00 -0.164121D+01  0.395752D+01 -0.182726D+01
                36            37            38            39            40 
      1   0.395752D+01 -0.599732D+02 -0.794214D+01 -0.594654D+01 -0.140079D+02
      2  -0.182726D+01 -0.794214D+01 -0.282691D+01  0.191973D+00 -0.524356D+01
      3  -0.203539D+01 -0.594654D+01  0.191973D+00 -0.598994D+00  0.286553D-01
                41            42            43            44            45 
      1  -0.524356D+01  0.286553D-01 -0.914016D+01 -0.164544D+00 -0.324144D+01
      2  -0.302404D+01 -0.244297D+00 -0.164544D+00 -0.122756D+01  0.276859D+01
      3  -0.244297D+00  0.302403D+01 -0.324144D+01  0.276859D+01  0.271132D+01
                46            47            48            49            50 
      1   0.435599D+02  0.813784D+01  0.642997D+01  0.114415D+02  0.198137D+01
      2   0.813784D+01  0.671607D+00  0.167425D+01  0.198137D+01  0.830656D+00
      3   0.642997D+01  0.167425D+01  0.649849D+00  0.264118D+01  0.732232D-01
                51            52            53            54            55 
      1   0.264118D+01  0.765167D+01  0.273326D+01  0.243446D+01 -0.391523D+02
      2   0.732232D-01  0.273326D+01  0.349170D+00 -0.161496D+01 -0.660306D+01
      3  -0.188362D+01  0.243446D+01 -0.161496D+01 -0.362181D+01 -0.595737D+01
                56            57            58            59            60 
      1  -0.660306D+01 -0.595737D+01 -0.154982D+02 -0.690121D+01 -0.154373D+01
      2  -0.202765D+01 -0.115451D+01 -0.690121D+01 -0.402427D+01 -0.210195D+01
      3  -0.115451D+01 -0.227213D+01 -0.154373D+01 -0.210195D+01 -0.292049D+00
                61            62            63            64            65 
      1  -0.225705D+02 -0.356155D+01 -0.610274D+01 -0.880592D+01  0.184163D+01
      2  -0.356155D+01 -0.126239D+01 -0.128514D+01  0.184163D+01  0.733053D+00
      3  -0.610274D+01 -0.128514D+01 -0.369162D+01 -0.341204D+01  0.425722D+01
                66            67            68            69            70 
      1  -0.341204D+01  0.194130D+01 -0.695796D+00  0.425145D+01 -0.922895D+01
      2   0.425722D+01 -0.695796D+00  0.306687D+01  0.356294D+01  0.434522D+01
      3   0.272055D+00  0.425145D+01  0.356294D+01 -0.136236D+01 -0.140493D+01
                71            72            73            74            75 
      1   0.434522D+01 -0.140493D+01 -0.693181D+01 -0.214115D+01 -0.188007D+01
      2   0.308357D+01 -0.407256D+00 -0.214115D+01  0.203240D+01 -0.501939D+00
      3  -0.407256D+00  0.167810D+01 -0.188007D+01 -0.501939D+00  0.295996D+01
                76            77            78            79            80 
      1  -0.198328D+01  0.240302D+01 -0.835155D+00  0.423106D+00 -0.240739D+00
      2   0.240302D+01  0.639235D+01  0.266071D+01 -0.240739D+00  0.243337D+01
      3  -0.835155D+00  0.266071D+01 -0.164952D+01  0.256874D+01 -0.279905D+01
                81            82            83            84            85 
      1   0.256874D+01  0.746315D+01  0.264698D+01  0.966728D+00  0.659458D+01
      2  -0.279905D+01  0.264698D+01  0.508114D+01  0.274224D+01  0.725078D+01
      3  -0.294386D+01  0.966728D+00  0.274224D+01 -0.351344D+01  0.182803D+01
                86            87            88            89            90 
      1   0.725078D+01  0.182803D+01  0.879326D+01  0.549232D+01 -0.392473D+01
      2  -0.188309D+01  0.630998D+00  0.549232D+01  0.560086D+00 -0.193738D+00
      3   0.630998D+00  0.286136D+00 -0.392473D+01 -0.193738D+00  0.377045D+00
                91            92            93            94            95 
      1   0.966717D+01  0.105377D+01 -0.301929D+01  0.225352D+01 -0.131924D+01
      2   0.105377D+01 -0.251878D+01 -0.223615D+00 -0.131924D+01 -0.412005D+01
      3  -0.301929D+01 -0.223615D+00 -0.331275D+01 -0.709272D+00 -0.133956D+01
                96            97            98            99           100 
      1  -0.709272D+00 -0.895625D+00 -0.555993D+00 -0.338119D+01  0.116181D+02
      2  -0.133956D+01 -0.555993D+00 -0.570943D+00  0.242889D+01  0.280973D+01
      3   0.265222D+01 -0.338119D+01  0.242889D+01  0.154955D+01  0.254337D+01
               101           102           103           104           105 
      1   0.280973D+01  0.254337D+01  0.110522D+01  0.157475D+01  0.276079D+00
      2   0.201181D+01  0.666735D+00  0.157475D+01  0.655196D+00  0.264114D+00
      3   0.666735D+00  0.143534D+01  0.276079D+00  0.264114D+00  0.306783D+00
               106           107           108           109           110 
      1   0.462699D+00  0.203469D+00  0.113807D+01 -0.171365D+00  0.555342D+00
      2   0.203469D+00 -0.136265D+00  0.658023D+00  0.555342D+00 -0.987612D+00
      3   0.113807D+01  0.658023D+00  0.105223D+01  0.101361D+01 -0.452597D+00
               111           112           113           114           115 
      1   0.101361D+01  0.172767D+00 -0.774832D-01  0.687144D-01  0.923219D+00
      2  -0.452597D+00 -0.774832D-01  0.751969D+00  0.963802D+00  0.430476D-01
      3  -0.217722D+01  0.687144D-01  0.963802D+00  0.143826D+01 -0.149814D+00
               116           117           118           119           120 
      1   0.430476D-01 -0.149814D+00 -0.183706D-01 -0.416432D+00 -0.609607D+00
      2   0.196611D+01  0.226369D+01 -0.416432D+00  0.329532D+00 -0.104660D+00
      3   0.226369D+01  0.765446D+01 -0.609607D+00 -0.104660D+00  0.256733D-01
               121           122           123           124           125 
      1  -0.222521D+01  0.334131D+00 -0.405321D-01 -0.101721D+01  0.761716D-01
      2   0.334131D+00 -0.790076D+00 -0.121766D+01  0.761716D-01 -0.122138D+01
      3  -0.405321D-01 -0.121766D+01 -0.178276D+01  0.448946D+00 -0.121231D+01
               126           127           128           129           130 
      1   0.448946D+00 -0.206227D+01  0.173928D+01 -0.105477D+00 -0.242667D+00
      2  -0.121231D+01  0.173928D+01 -0.453494D+01 -0.216882D+00 -0.199890D+01
      3  -0.704585D+01 -0.105477D+00 -0.216882D+00 -0.273739D+00 -0.291874D+00
               131           132           133           134           135 
      1  -0.199890D+01 -0.291874D+00  0.151126D+00 -0.651727D+00  0.248596D+00
      2   0.843334D+01  0.560461D-02 -0.651727D+00  0.166606D+01  0.118794D+01
      3   0.560461D-02  0.843107D+00  0.248596D+00  0.118794D+01  0.261319D+00
               136           137           138           139           140 
      1   0.329040D+01  0.170740D+01 -0.206458D+01 -0.569095D+00  0.899817D+00
      2   0.170740D+01  0.165492D+01 -0.152592D+01  0.899817D+00  0.219314D+01
      3  -0.206458D+01 -0.152592D+01  0.260376D+01 -0.104826D+01 -0.154057D+01
               141           142           143           144           145 
      1  -0.104826D+01 -0.511043D+01 -0.275451D+01  0.308613D+01  0.567802D+01
      2  -0.154057D+01 -0.275451D+01 -0.296811D+01  0.258273D+01 -0.258059D+01
      3   0.125416D+01  0.308613D+01  0.258273D+01 -0.469359D+01  0.346712D+01
               146           147           148           149           150 
      1  -0.258059D+01  0.346712D+01 -0.118182D+01  0.159040D+01 -0.134491D+01
      2   0.258435D+01 -0.230433D+01  0.159040D+01 -0.246045D+01  0.151511D+01
      3  -0.230433D+01  0.338695D+01 -0.134491D+01  0.151511D+01 -0.123921D+01
               151           152           153           154           155 
      1   0.209264D+01 -0.173723D+01  0.245470D+01 -0.122105D+01 -0.151147D+01
      2  -0.173723D+01  0.138785D+01 -0.197164D+01 -0.151147D+01 -0.251962D+01
      3   0.245470D+01 -0.197164D+01  0.385401D+01  0.137929D+00 -0.416008D+00
               156           157           158           159           160 
      1   0.137929D+00 -0.111780D+01 -0.148608D+01 -0.442615D+00 -0.430810D+00
      2  -0.416008D+00 -0.148608D+01 -0.698371D+01 -0.392988D+00 -0.759291D+00
      3  -0.523798D+00 -0.442615D+00 -0.392988D+00 -0.117897D+01 -0.296527D+00
               161           162           163           164           165 
      1  -0.759291D+00 -0.296527D+00 -0.337012D+01  0.718106D+00  0.203943D+01
      2  -0.272161D+01 -0.856719D+00  0.718106D+00 -0.109071D+01 -0.345557D+00
      3  -0.856719D+00 -0.736276D+00  0.203943D+01 -0.345557D+00 -0.243463D+01
               166           167           168           169           170 
      1   0.173224D+01 -0.985335D+00 -0.827940D+00  0.166391D+01 -0.703363D+00
      2  -0.985335D+00  0.635499D+00  0.381487D+00 -0.703363D+00  0.694052D+00
      3  -0.827940D+00  0.381487D+00  0.165683D+01 -0.199612D+01  0.291023D+00
               171           172           173           174           175 
      1  -0.199612D+01 -0.793573D-01 -0.696911D+00 -0.860865D-01 -0.142025D+01
      2   0.291023D+00 -0.696911D+00 -0.206606D+01 -0.131559D+01  0.469361D+00
      3   0.407925D+01 -0.860865D-01 -0.131559D+01 -0.117265D+01 -0.466513D-01
               176           177           178           179           180 
      1   0.469361D+00 -0.466513D-01 -0.107595D+00 -0.219525D+00  0.355517D+00
      2  -0.619566D+01 -0.299935D+01 -0.219525D+00 -0.280011D+01 -0.216286D+01
      3  -0.299935D+01 -0.216753D+01  0.355517D+00 -0.216286D+01 -0.261983D+01
               181           182           183           184           185 
      1   0.930652D+01 -0.322657D+01  0.167366D+01 -0.238473D+01  0.229094D+01
      2  -0.322657D+01  0.176205D+01 -0.838626D+00  0.229094D+01 -0.198643D+01
      3   0.167366D+01 -0.838626D+00  0.140975D+01 -0.768456D+00  0.177323D+00
               186           187           188           189           190 
      1  -0.768456D+00  0.642892D+01 -0.211831D+01  0.189515D+01  0.300620D+01
      2   0.177323D+00 -0.211831D+01  0.120370D+01 -0.720494D+00  0.682663D+00
      3  -0.441337D+00  0.189515D+01 -0.720494D+00  0.145179D+01 -0.135249D+01
               191           192           193           194           195 
      1   0.682663D+00 -0.135249D+01  0.209176D+01  0.832102D+00 -0.189677D+01
      2   0.605675D+00 -0.984921D+00  0.832102D+00  0.201662D+01 -0.174447D+01
      3  -0.984921D+00  0.151603D+01 -0.189677D+01 -0.174447D+01  0.257577D+01
               196           197           198           199           200 
      1  -0.171170D+01 -0.102284D+01  0.252373D+01  0.143642D+01  0.808060D+00
      2  -0.102284D+01 -0.181435D+01  0.143721D+01  0.808060D+00  0.137525D+00
      3   0.252373D+01  0.143721D+01 -0.444938D+01  0.120077D+01 -0.114977D+00
               201           202           203           204           205 
      1   0.120077D+01  0.159124D+01 -0.104669D+01  0.261213D+00  0.156215D+01
      2  -0.114977D+00 -0.104669D+01  0.626164D+00  0.109034D+01  0.458220D+00
      3  -0.454822D+00  0.261213D+00  0.109034D+01  0.154106D+01 -0.368349D+00
               206           207           208           209           210 
      1   0.458220D+00 -0.368349D+00 -0.827243D+00 -0.492138D+00 -0.905312D+00
      2   0.130163D+01  0.153814D+01 -0.492138D+00 -0.947867D-01 -0.653055D-01
      3   0.153814D+01  0.433996D+01 -0.905312D+00 -0.653055D-01 -0.708545D-01
               211           212           213           214           215 
      1  -0.989837D+00  0.110728D+00 -0.396949D+00 -0.172971D+01 -0.304130D+00
      2   0.110728D+00 -0.125193D+01 -0.152487D+01 -0.304130D+00 -0.160151D+01
      3  -0.396949D+00 -0.152487D+01 -0.249636D+01 -0.234801D+00 -0.221207D+01
               216           217           218           219           220 
      1  -0.234801D+00 -0.946691D+00  0.609055D+00  0.192982D+00  0.233867D+01
      2  -0.221207D+01  0.609055D+00  0.119472D+01  0.325541D+00 -0.321193D+00
      3  -0.712369D+01  0.192982D+00  0.325541D+00  0.104635D+01 -0.820865D+00
               221           222           223           224           225 
      1  -0.321193D+00 -0.820865D+00  0.116555D+01  0.155923D+00  0.183892D-03
      2   0.735651D+01  0.180018D+01  0.155923D+00  0.465190D+00  0.684429D+00
      3   0.180018D+01  0.193060D+01  0.183892D-03  0.684429D+00  0.762661D+00
               226           227           228           229           230 
      1   0.508784D+00 -0.952254D+00  0.950035D+00 -0.121739D+01  0.556116D+00
      2  -0.952254D+00  0.116362D+01 -0.443629D+00  0.556116D+00 -0.111357D+01
      3   0.950035D+00 -0.443629D+00  0.282246D+01 -0.127227D+00  0.165728D+01
               231           232           233           234           235 
      1  -0.127227D+00  0.294024D+01 -0.481457D+00  0.490097D+00 -0.102592D+02
      2   0.165728D+01 -0.481457D+00  0.148173D+01 -0.143220D+01  0.195094D+00
      3  -0.273814D+01  0.490097D+00 -0.143220D+01  0.509134D+01  0.333703D+01
               236           237           238           239           240 
      1   0.195094D+00  0.333703D+01 -0.719136D+00 -0.100930D+01  0.351615D+00
      2  -0.106827D+01 -0.596045D-01 -0.100930D+01  0.232449D+00  0.566499D+00
      3  -0.596045D-01 -0.207579D+01  0.351615D+00  0.566499D+00 -0.537598D+00
               241           242           243 
      1   0.187229D+01  0.714725D-01 -0.133070D+01
      2   0.714725D-01  0.258997D+00 -0.225975D+00
      3  -0.133070D+01 -0.225975D+00  0.112419D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.668928D+01  0.103196D+02  0.573130D+01  0.969406D+01  0.102927D+02
      2  -0.998795D+01  0.225404D+01  0.804606D+01  0.806843D+01 -0.962721D-01
      3  -0.385309D+01 -0.831831D+01  0.244429D+01 -0.810471D-01 -0.787885D+01
                 6             7             8             9            10 
      1  -0.234534D+01  0.613400D+01  0.522897D+01 -0.566699D+01  0.424510D+01
      2  -0.815050D+01  0.337815D+01 -0.815181D+01 -0.289605D+01  0.238337D+02
      3  -0.967246D+01  0.590858D+00 -0.123697D+02  0.103576D+01  0.112124D+02
                11            12            13            14            15 
      1  -0.560605D+01 -0.325440D+00 -0.687744D+01 -0.695824D+01 -0.528385D+01
      2  -0.934378D+01  0.456100D+01 -0.135863D+02 -0.422059D+01  0.193075D+00
      3  -0.199438D+01  0.844932D+01  0.735756D+01  0.140545D+02  0.111778D+02
                16            17            18            19            20 
      1   0.192514D+01  0.369516D+01 -0.317332D+00  0.267182D+01  0.269984D+01
      2   0.817729D+01  0.161691D+01  0.322136D+01 -0.350381D+02 -0.193689D+01
      3   0.115916D+02  0.112140D+02 -0.108234D+01 -0.181199D+02 -0.356944D+01
                21            22            23            24            25 
      1  -0.133926D+01  0.630039D+01  0.385552D+01 -0.257186D+01 -0.422414D+01
      2  -0.245342D+00  0.443141D+00 -0.744614D+01  0.562575D+01 -0.192969D+02
      3  -0.362321D+01  0.571431D+01 -0.741468D+01  0.254432D+01 -0.421434D+01
                26            27            28            29            30 
      1   0.409098D+01 -0.420313D+01 -0.909492D+01  0.106503D+01 -0.556791D+00
      2   0.320006D+01  0.110846D+01  0.367203D+02  0.613786D+01 -0.230019D+01
      3   0.863981D+00 -0.230978D+01  0.174761D+02  0.885291D+01 -0.323656D+00
                31            32            33            34            35 
      1   0.680822D+01 -0.370401D+00 -0.300600D+01 -0.329951D+01  0.251734D+01
      2   0.148392D+02  0.370036D+01 -0.521648D+00 -0.219542D+02 -0.191981D+01
      3   0.391290D+02  0.101797D+02  0.290318D+01 -0.112881D+01  0.392554D-01
                36            37            38            39            40 
      1   0.322515D+01  0.908575D+01 -0.287322D+01  0.133438D+01 -0.985678D+01
      2  -0.805556D+00 -0.246195D+02 -0.619041D+01  0.372929D+01 -0.145612D+02
      3   0.463339D+00 -0.237365D+02 -0.122674D+02 -0.217000D+00 -0.376723D+01
                41            42            43            44            45 
      1  -0.583632D+00 -0.480669D+00  0.979580D+01  0.204058D+01 -0.615841D+00
      2  -0.385997D+01 -0.533595D+01 -0.149317D+02 -0.709083D+01 -0.121106D+02
      3  -0.397669D+01  0.204426D+01  0.168579D+01  0.295529D+01  0.387550D+01
                46            47            48            49            50 
      1  -0.709967D+01  0.112891D+02 -0.888078D+00  0.375383D+01 -0.638531D+01
      2   0.604538D+01  0.605915D+01 -0.786692D+01  0.456915D+01  0.542191D+00
      3   0.159326D+02  0.177594D+02  0.678984D+00  0.254778D+02  0.592578D+01
                51            52            53            54            55 
      1  -0.148956D+02 -0.269111D+00 -0.243918D+01  0.957559D+01  0.436098D+01
      2  -0.736111D-01 -0.164830D+02  0.289806D+01  0.117062D+02 -0.879220D+01
      3  -0.366623D+01  0.129987D+00  0.550508D+00 -0.265644D+01 -0.130913D+02
                56            57            58            59            60 
      1  -0.314269D+01 -0.741545D+00  0.416656D+01  0.284313D+01  0.622096D+00
      2  -0.201514D+01  0.165971D+02 -0.612451D+01  0.181596D+01  0.535105D+01
      3  -0.191918D+02 -0.216689D+01 -0.148677D+02 -0.143530D+02 -0.405713D+01
                61            62            63            64            65 
      1   0.977684D+00  0.353269D+01 -0.295433D+01 -0.441976D+01  0.542813D+01
      2   0.349047D-01  0.946455D+00  0.112707D+02 -0.162689D+02  0.160651D+02
      3  -0.616826D+01 -0.917068D+01 -0.303609D+01  0.179073D+00 -0.638566D+01
                66            67            68            69            70 
      1  -0.527534D+01  0.756436D+01  0.235215D+01 -0.752105D+01 -0.836776D+01
      2  -0.731434D+00  0.150009D+02  0.127423D+02 -0.135993D-01 -0.154765D+02
      3  -0.112289D+02  0.545114D+01 -0.112884D+02 -0.188703D+02 -0.124917D+02
                71            72            73            74            75 
      1  -0.128564D+01  0.424024D+01 -0.127400D+01  0.521478D+01 -0.588474D+01
      2   0.379605D+01  0.681692D+01  0.690607D+01  0.250213D+01  0.137328D+02
      3  -0.170076D+02  0.317486D+01 -0.190476D+01 -0.134889D+02  0.289334D+00
                76            77            78            79            80 
      1   0.185702D+01  0.274010D+01  0.535248D+01 -0.431428D+01  0.100687D+02
      2   0.413752D+00  0.443771D+01 -0.546262D+01  0.565573D+01 -0.881924D+01
      3  -0.596827D+01 -0.152106D+02 -0.101737D+02  0.201677D+01 -0.915607D+01
                81            82            83            84            85 
      1   0.961921D-03 -0.305008D+01 -0.127815D+02  0.891259D+01 -0.135168D+02
      2  -0.126135D+02  0.788331D+01  0.587014D+01 -0.369526D+01  0.887903D+01
      3   0.132534D+02  0.910393D+00 -0.951506D+01 -0.426322D+01  0.434581D+01
                86            87            88            89            90 
      1   0.101704D+01 -0.412608D+01  0.893989D+01  0.249845D+01  0.275258D+00
      2   0.724314D+01  0.210141D+01 -0.250766D+01  0.377681D+01 -0.341613D+01
      3   0.172092D+02  0.484348D+01  0.219087D+00  0.113065D+02 -0.104080D+02
                91            92            93            94            95 
      1   0.205127D+01 -0.674771D+01  0.363167D+01  0.397889D+01 -0.788240D+01
      2   0.304569D+01 -0.677770D+00  0.206051D+02  0.822729D+00  0.940312D+01
      3   0.665638D+01 -0.112198D+02 -0.234527D+01  0.349662D+00 -0.159696D+02
                96            97            98            99           100 
      1  -0.105505D+02 -0.106185D+01  0.213596D+01  0.460627D+01 -0.979350D+00
      2  -0.112950D+02  0.925029D+01 -0.888641D+01 -0.311479D+00 -0.418409D+01
      3  -0.569159D+01 -0.187358D+01 -0.280488D+00  0.667797D+01  0.709772D+01
               101           102           103           104           105 
      1   0.190805D+01 -0.208135D+01  0.358506D+00 -0.148688D-01 -0.143082D+01
      2  -0.305534D+00  0.535416D+01 -0.713291D+00 -0.476208D+00  0.103937D+01
      3  -0.634208D+01  0.108569D+01 -0.990910D-01  0.333042D-01  0.487646D+00
               106           107           108           109           110 
      1  -0.101182D+01 -0.177306D-01 -0.727588D+00 -0.782699D+00 -0.169670D+01
      2   0.103831D+01  0.138824D+01  0.241272D+01  0.429314D+01 -0.185381D+01
      3   0.333222D+00  0.413275D+00 -0.476777D+00 -0.222530D+01  0.250971D+01
               111           112           113           114           115 
      1   0.276502D+01 -0.741308D+00 -0.753583D+00 -0.237236D+01  0.619353D+00
      2  -0.687807D+01 -0.843520D+00  0.324346D+01  0.379288D+01 -0.593093D+01
      3   0.253740D+01  0.234551D+01 -0.153395D+01 -0.232879D+01  0.229502D+01
               116           117           118           119           120 
      1   0.198547D+01 -0.774969D+01  0.407310D+00  0.542778D+00  0.718117D-01
      2   0.586237D+01  0.216605D+02 -0.179184D+01 -0.485973D+00  0.827737D+00
      3  -0.439207D+01 -0.647954D+01  0.504133D+00 -0.123366D+01 -0.306082D+00
               121           122           123           124           125 
      1   0.157885D+01  0.212563D+01  0.564621D+00 -0.335175D+00  0.494774D+01
      2  -0.180322D+01 -0.633645D+00 -0.202846D+01 -0.418465D+01 -0.989472D+00
      3   0.210163D+01  0.530883D+00  0.885776D+00 -0.204905D+00  0.374500D+00
               126           127           128           129           130 
      1   0.323043D+01 -0.704880D+00  0.358158D+01  0.221860D+01  0.180712D+01
      2  -0.629353D+01 -0.149808D+01  0.427193D+00  0.419570D+00 -0.934057D+00
      3   0.148067D+01 -0.897789D+01  0.100644D+02  0.349463D+00  0.946688D+01
               131           132           133           134           135 
      1  -0.526028D+01 -0.501191D+01 -0.175408D+00 -0.237422D+01 -0.171334D+01
      2  -0.139559D+01  0.849061D-01 -0.699853D+00  0.141595D+01  0.584867D+00
      3  -0.185140D+02 -0.414127D+00  0.211867D+01 -0.460772D+01 -0.160707D+01
               136           137           138           139           140 
      1   0.348347D+01  0.164349D+01 -0.609603D+01  0.162795D+01  0.174640D+01
      2  -0.197372D+00 -0.151713D+01  0.492281D+01 -0.222092D+01 -0.203982D+01
      3   0.393246D+01 -0.210862D+01 -0.143355D+01  0.372246D-01 -0.289830D+01
               141           142           143           144           145 
      1  -0.272716D+01 -0.580077D+01 -0.918389D+00  0.971769D+01  0.194610D+01
      2   0.225141D+01 -0.545394D+00  0.256071D+01 -0.604096D+01 -0.267827D+01
      3   0.420306D+00 -0.466665D+01  0.120490D+01  0.153448D+01 -0.419159D+01
               146           147           148           149           150 
      1   0.650011D+00  0.330993D+01 -0.542906D-01 -0.133195D+01 -0.163297D+01
      2  -0.102280D+01  0.358662D+01  0.208031D+01  0.688488D+00 -0.249642D+00
      3  -0.274059D+01 -0.699703D+00  0.192149D+01  0.263147D+01 -0.531001D-02
               151           152           153           154           155 
      1   0.143317D+01  0.624768D+00  0.429731D+01 -0.230695D+01 -0.499003D+01
      2  -0.268502D+01 -0.468678D+00  0.384848D+01  0.254577D+01  0.189073D+01
      3  -0.308318D+01 -0.138351D+00 -0.652474D+00  0.731663D+01  0.594805D+01
               156           157           158           159           160 
      1  -0.298844D+01 -0.338336D+01 -0.108674D+02 -0.549943D+01 -0.210482D+01
      2   0.693112D-01  0.142967D+01  0.311931D+01  0.791391D-01 -0.103742D+01
      3   0.782881D+00  0.750247D+01  0.141471D+02  0.129997D+01  0.340988D+01
               161           162           163           164           165 
      1  -0.385135D+01 -0.383199D+01  0.653869D+01 -0.470450D+01 -0.462121D+01
      2   0.473755D+00 -0.392558D-01  0.128066D+02 -0.255559D+01 -0.564435D+01
      3   0.624537D+01  0.215531D+01  0.608206D+01 -0.115019D+01 -0.344127D+01
               166           167           168           169           170 
      1  -0.459340D+01  0.319784D+01  0.184507D+01 -0.514498D+01  0.396078D+01
      2  -0.606465D+01  0.246581D+01  0.362235D+01 -0.916694D+01  0.209212D+01
      3   0.573975D-01  0.100863D+01  0.123934D+01 -0.337377D+01  0.187129D+01
               171           172           173           174           175 
      1   0.688092D+01  0.530499D+00  0.347232D+00 -0.111401D+01  0.890925D-01
      2   0.849055D+01 -0.183824D+01 -0.501246D+01 -0.293107D+01 -0.260938D+01
      3   0.346554D+01  0.446128D+01  0.671073D+01  0.439148D+01  0.299195D+01
               176           177           178           179           180 
      1   0.221519D+01 -0.291370D+01  0.668253D+00  0.146475D+01 -0.262217D+01
      2  -0.104336D+02 -0.756073D+01 -0.917355D+00 -0.759322D+01 -0.823198D+01
      3   0.202350D+02  0.103612D+02  0.229499D+01  0.103509D+02  0.727449D+01
               181           182           183           184           185 
      1   0.480698D+01 -0.214052D+01  0.366220D+01 -0.260507D+01  0.136656D+01
      2   0.118078D+02 -0.535000D+01  0.951305D+01 -0.439471D+01  0.200268D+01
      3  -0.438796D+00 -0.549259D+01  0.868823D+00 -0.269123D+01  0.502287D+01
               186           187           188           189           190 
      1  -0.186785D+01  0.317009D+01 -0.346931D+00  0.275436D+01 -0.255252D+01
      2  -0.336396D+01  0.837944D+01 -0.347345D+01  0.742514D+01 -0.195654D+01
      3   0.503478D+00  0.193529D+01 -0.292029D+01  0.352945D+00 -0.412418D+01
               191           192           193           194           195 
      1  -0.243906D+01  0.268847D+01 -0.245393D+01 -0.639071D+01  0.384040D+01
      2  -0.251077D+01  0.504430D+01 -0.318788D+01 -0.553636D+01  0.774055D+01
      3  -0.387413D+01  0.477178D+01 -0.305949D+01 -0.923673D+01  0.755659D+01
               196           197           198           199           200 
      1   0.375597D+01  0.635702D+01 -0.615893D+01  0.151653D+00 -0.405959D+00
      2   0.429818D+01  0.419013D+01 -0.130027D+02  0.384116D+00  0.238776D+00
      3   0.479490D+01  0.842749D+01 -0.717146D+01  0.923892D+00  0.551254D+00
               201           202           203           204           205 
      1   0.449158D+00 -0.426763D+01 -0.528913D+00 -0.232090D+01  0.159044D+01
      2  -0.178651D+00 -0.143634D+01 -0.155196D+01 -0.606240D+00 -0.270196D+01
      3   0.757440D+00  0.225212D+01 -0.146576D+00  0.157506D-01  0.184410D+01
               206           207           208           209           210 
      1   0.183941D+01 -0.342352D+01  0.824067D+00 -0.419558D+00 -0.654457D-01
      2   0.248065D+00 -0.230495D+01  0.996829D+00  0.567305D-01  0.102864D+01
      3   0.630617D+00 -0.151863D+00 -0.153262D+01 -0.817272D+00 -0.539803D+00
               211           212           213           214           215 
      1  -0.152626D+01  0.150163D+01 -0.395417D-02  0.463050D+00  0.409513D+01
      2   0.573116D-01  0.311872D+01  0.471438D+01 -0.376977D+01  0.412180D+01
      3   0.350595D+01 -0.199208D+01 -0.311615D+01 -0.712458D+00 -0.329259D+01
               216           217           218           219           220 
      1  -0.176773D+00 -0.294284D+00  0.263638D+01  0.557247D+00 -0.120351D+01
      2   0.129037D+02 -0.114155D+01 -0.258521D+01 -0.317601D+01 -0.262790D+00
      3  -0.474525D+01  0.218771D+01  0.439869D+01  0.142952D+01  0.102031D+01
               221           222           223           224           225 
      1   0.129122D+02  0.194533D+01  0.181493D+01  0.911328D+00  0.568775D+00
      2  -0.761825D+01 -0.518142D+01 -0.286830D+00 -0.218767D+01 -0.333401D+01
      3   0.260488D+02  0.651471D+01  0.192887D+01  0.132336D+01  0.241591D+01
               226           227           228           229           230 
      1  -0.568652D+00  0.265747D+01 -0.407739D+01 -0.309730D+00 -0.326143D+01
      2  -0.645410D+01  0.377721D+01 -0.125127D+02  0.272076D+01 -0.799319D+01
      3  -0.253198D+01  0.265080D+01 -0.160565D+01  0.126560D+01 -0.330561D+01
               231           232           233           234           235 
      1   0.463112D+01 -0.204343D+01  0.418297D+01 -0.617758D+01 -0.128666D+01
      2   0.112493D+02 -0.644435D+01  0.621332D+01 -0.203710D+02  0.163965D+01
      3   0.605231D+01 -0.949002D+00  0.413805D+01 -0.489333D+01 -0.391161D+01
               236           237           238           239           240 
      1  -0.203591D+01  0.722699D+00 -0.657050D+00  0.188281D+00 -0.722650D-01
      2   0.319008D+00  0.595561D+01 -0.581667D+00 -0.122170D+01  0.199784D+01
      3  -0.611329D+01  0.112107D+01 -0.238825D+01  0.464267D+00  0.160494D+01
               241           242           243 
      1   0.631969D+00  0.143248D+01 -0.797017D+00
      2  -0.563395D+00  0.100736D+01 -0.213726D+01
      3   0.167756D+01  0.142616D+01 -0.148970D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.106411D+02  0.619670D+01 -0.710389D+01  0.375564D+00  0.721865D+01
      2   0.101035D+01 -0.209925D+02 -0.494462D+01 -0.135928D+02 -0.187585D+02
      3  -0.116515D+02  0.147958D+02  0.120485D+02  0.132172D+02  0.115398D+02
      4   0.123090D+02 -0.608075D+01  0.239674D+02 -0.229564D+01  0.714804D+01
      5  -0.195061D+02  0.196818D+02 -0.146256D+02  0.190472D+02  0.401425D+01
      6   0.147321D+02 -0.134467D+02  0.128016D+02 -0.871516D+01 -0.406876D+01
                 6             7             8             9            10 
      1   0.218090D+02 -0.604693D+01  0.220129D+02 -0.191607D+01 -0.567898D+01
      2  -0.143516D+02 -0.765869D+01 -0.176205D+02  0.751914D+01  0.106875D+02
      3  -0.745738D+01  0.137056D+02 -0.439234D+01 -0.560307D+01 -0.500852D+01
      4  -0.666994D+01  0.243736D+02 -0.872900D+01  0.468649D+01 -0.171569D+02
      5   0.591957D+01 -0.140815D+02  0.101176D+02 -0.903785D+01  0.143770D+02
      6   0.521690D+01  0.112839D+02  0.356234D+01  0.118060D+01 -0.152475D+02
                11            12            13            14            15 
      1  -0.278283D+01  0.894035D+01 -0.693904D+01 -0.131076D+02 -0.243072D+02
      2   0.672845D+01 -0.646687D+00  0.474590D+01  0.165353D+02  0.872411D+01
      3  -0.394562D+01 -0.829366D+01  0.219314D+01 -0.342774D+01  0.155831D+02
      4   0.212711D+01 -0.231887D+02  0.393358D+01 -0.292087D+02 -0.777242D+01
      5  -0.193157D+02 -0.312160D+01 -0.224272D+02 -0.181963D+02  0.576626D+00
      6   0.109239D+02 -0.477509D+01 -0.300888D+01 -0.172639D+01 -0.781286D+01
                16            17            18            19            20 
      1   0.792644D+01 -0.226910D+02 -0.351094D+01  0.537632D+02  0.128619D+02
      2   0.785815D+01  0.125550D+02 -0.336591D+01 -0.507104D+02 -0.182650D+02
      3  -0.157846D+02  0.101361D+02  0.687685D+01 -0.305274D+01  0.540307D+01
      4  -0.342494D+02  0.546243D+00 -0.370945D+00  0.963952D+01 -0.128140D+02
      5  -0.567505D+01  0.102398D+01  0.307237D+01  0.174231D+02  0.638398D+01
      6  -0.598834D+01 -0.378212D+01  0.161497D+01  0.143400D+02 -0.924430D+00
                21            22            23            24            25 
      1   0.450500D+01  0.239215D+02  0.826963D+01  0.747062D+01  0.498564D+00
      2  -0.315269D+01 -0.219894D+02 -0.134711D+02  0.307397D+01 -0.688351D+01
      3  -0.135231D+01 -0.193206D+01  0.520143D+01 -0.105446D+02  0.638495D+01
      4   0.697650D+01 -0.347608D+02 -0.403489D+01 -0.237952D+01  0.176453D+02
      5   0.433395D+01  0.702313D+01  0.639275D+01  0.579560D+01  0.497902D+01
      6   0.377769D+01  0.879529D+01  0.819543D+01  0.402222D+00  0.424973D+01
                26            27            28            29            30 
      1   0.115537D+02  0.156015D+02 -0.134196D+03 -0.138575D+02 -0.402221D+01
      2  -0.330960D+01  0.650714D+01  0.920847D+02  0.921140D+01  0.458759D+01
      3  -0.824413D+01 -0.221086D+02  0.421118D+02  0.464614D+01 -0.565377D+00
      4  -0.713966D+01  0.101533D+02 -0.133269D+02 -0.110767D+02  0.504905D+00
      5   0.665441D+01  0.703886D+01 -0.374340D+02 -0.168297D+01 -0.140389D+02
      6  -0.525760D+00 -0.216444D+01 -0.193183D+02 -0.658688D+01  0.113020D+01
                31            32            33            34            35 
      1  -0.391668D+02 -0.264430D+02  0.377757D+01 -0.312337D+02 -0.788902D+00
      2   0.285946D+02  0.231428D+02 -0.372298D+01  0.185532D+02 -0.157749D+01
      3   0.105723D+02  0.330020D+01 -0.545882D-01  0.126805D+02  0.236639D+01
      4  -0.107053D+02 -0.106724D+02  0.990271D+00 -0.618710D+01  0.177531D+01
      5  -0.883087D+01 -0.493421D+01 -0.607939D+00 -0.106868D+02  0.183563D+01
      6  -0.682358D+01 -0.900665D+01  0.489798D+01 -0.134963D+01  0.141684D+01
                36            37            38            39            40 
      1  -0.116206D+02  0.180912D+03  0.304833D+02  0.198320D+02  0.338804D+02
      2   0.680521D+00 -0.111694D+03 -0.186391D+02 -0.124463D+02 -0.180735D+02
      3   0.109401D+02 -0.692177D+02 -0.118441D+02 -0.738570D+01 -0.158069D+02
      4   0.115695D+01  0.333101D+02  0.182192D+02 -0.331147D+00  0.323241D+02
      5   0.115550D+01  0.580617D+02  0.376505D+01  0.124425D+02  0.465251D+01
      6  -0.439482D+01  0.208558D+02  0.556658D+01 -0.108358D+01  0.982428D+01
                41            42            43            44            45 
      1   0.535773D+01  0.990422D+01  0.111227D+02  0.104051D+02  0.134316D+02
      2   0.178378D+01  0.194226D+01 -0.127574D+02 -0.392190D+01 -0.148303D+01
      3  -0.714151D+01 -0.118465D+02  0.163470D+01 -0.648325D+01 -0.119485D+02
      4   0.732813D+01  0.303094D+01 -0.779126D+01 -0.313740D+01 -0.103586D+02
      5   0.292445D+01 -0.122717D+02  0.161898D+02 -0.922623D+01 -0.124163D+02
      6   0.994228D+00  0.345023D+01  0.375150D-01  0.209207D+01 -0.101195D+02
                46            47            48            49            50 
      1  -0.171025D+03 -0.326640D+02 -0.400649D+02 -0.581210D+02 -0.173663D+02
      2   0.948627D+02  0.153722D+02  0.214315D+02  0.309459D+02  0.122786D+02
      3   0.761620D+02  0.172918D+02  0.186334D+02  0.271750D+02  0.508768D+01
      4  -0.561104D+02 -0.276773D+02 -0.110640D+02 -0.952787D+01 -0.912478D+01
      5  -0.782206D+02 -0.150171D+02 -0.268139D+02 -0.300596D+02 -0.192948D+01
      6  -0.207163D+02 -0.212722D+01 -0.577080D+01 -0.151217D-01 -0.545301D+01
                51            52            53            54            55 
      1  -0.121941D+02 -0.530316D+02 -0.135793D+02 -0.166059D+02  0.196694D+03
      2   0.109700D+02  0.203868D+02  0.202985D+01  0.146175D+02 -0.104028D+03
      3   0.122417D+01  0.326448D+02  0.115494D+02  0.198844D+01 -0.926664D+02
      4  -0.502082D+00 -0.242403D+02  0.219020D+01  0.806238D+01  0.500827D+02
      5   0.747758D+01 -0.250487D+02  0.834558D+01  0.241291D+02  0.737524D+02
      6   0.213570D+01  0.293467D+01 -0.560138D+01 -0.538064D+01  0.121296D+02
                56            57            58            59            60 
      1   0.324324D+02  0.382658D+02  0.637089D+02  0.302358D+02  0.488881D+01
      2  -0.127801D+02 -0.253605D+02 -0.286803D+02 -0.747692D+01 -0.127119D+01
      3  -0.196523D+02 -0.129054D+02 -0.350286D+02 -0.227589D+02 -0.361762D+01
      4   0.341003D+02  0.982898D+01  0.565144D+02  0.351254D+02  0.168292D+02
      5   0.121552D+02  0.377635D+02  0.214181D+02  0.186259D+02  0.761539D+01
      6   0.653302D+01  0.538141D+01  0.115828D+02  0.909135D+01  0.993144D+01
                61            62            63            64            65 
      1   0.968137D+02  0.124369D+02  0.276076D+02 -0.325984D+02  0.166564D+02
      2  -0.590950D+02 -0.535936D+01 -0.255090D+02  0.992555D+01 -0.555063D+01
      3  -0.377186D+02 -0.707751D+01 -0.209859D+01  0.226729D+02 -0.111057D+02
      4   0.246675D+02  0.130448D+02  0.102893D+02  0.203845D+02 -0.114627D+01
      5   0.678900D+02  0.126240D+02  0.380242D+02 -0.202152D+02  0.257995D+02
      6   0.116534D+02  0.105531D+02  0.589386D+01  0.115261D+02 -0.118309D+02
                66            67            68            69            70 
      1  -0.161087D+02  0.921332D+01  0.102912D+02  0.359545D+02 -0.271007D+02
      2  -0.960276D+00  0.196766D+01 -0.726427D+01 -0.266379D+02  0.147335D+01
      3   0.170690D+02 -0.111810D+02 -0.302693D+01 -0.931657D+01  0.256273D+02
      4   0.309051D+02 -0.736563D+01  0.123315D+02  0.113441D+02  0.380206D+02
      5   0.112345D+01  0.261954D+02  0.167365D+02 -0.133096D+02 -0.299749D+01
      6  -0.503866D+01 -0.783471D+01 -0.129980D+02 -0.629206D+01 -0.293104D+01
                71            72            73            74            75 
      1   0.367013D+02 -0.554373D+01 -0.522827D+02 -0.193856D+02 -0.146790D+02
      2  -0.274114D+02  0.620525D+01  0.223755D+02  0.890137D+01 -0.236644D+01
      3  -0.928989D+01 -0.661521D+00  0.299073D+02  0.104842D+02  0.170454D+02
      4   0.723759D+01 -0.450693D+01 -0.262101D+02  0.624627D+00 -0.386442D+01
      5  -0.893110D+01  0.106531D+02 -0.189537D+02 -0.446236D+01  0.100553D+02
      6  -0.730803D+01 -0.243055D+00 -0.409634D+01 -0.424478D+01  0.844301D+01
                76            77            78            79            80 
      1  -0.156385D+02  0.915453D+01 -0.296042D+01 -0.353448D+01 -0.176651D+01
      2   0.118164D+02 -0.233891D+01  0.115937D+02 -0.574237D+01  0.818934D+01
      3   0.382209D+01 -0.681562D+01 -0.863332D+01  0.927685D+01 -0.642282D+01
      4   0.873968D+01  0.306262D+02  0.120388D+02 -0.405077D+00  0.325460D+01
      5  -0.665172D+01  0.193333D+02 -0.841913D+01  0.125975D+02 -0.100593D+02
      6   0.502620D+01  0.999117D+01 -0.181306D+01  0.628830D+01 -0.404428D+01
                81            82            83            84            85 
      1   0.233906D+02 -0.124318D+02 -0.142191D+02 -0.854021D+01 -0.164793D+02
      2  -0.518158D+01  0.181778D+02  0.322934D+02  0.111312D+02  0.289317D+02
      3  -0.182090D+02 -0.574595D+01 -0.180743D+02 -0.259100D+01 -0.124524D+02
      4  -0.560935D+01  0.670449D+01  0.994226D+01  0.964461D+01  0.235067D+02
      5  -0.881202D+01  0.387050D+00  0.950838D+01 -0.183058D+02  0.838879D+01
      6  -0.997036D+01  0.396689D+00  0.910502D+01 -0.164437D+02  0.201282D+01
                86            87            88            89            90 
      1   0.128979D+02  0.711899D+01 -0.305653D+02  0.713990D+01 -0.122429D+02
      2  -0.141042D+02 -0.606360D+01  0.297569D+02 -0.490669D+01  0.911603D+01
      3   0.120625D+01 -0.105539D+01  0.808336D+00 -0.223322D+01  0.312690D+01
      4   0.112006D+02  0.643844D+01  0.177803D+02  0.125896D+02 -0.113859D+02
      5  -0.181030D+01  0.166211D+00 -0.270625D+02 -0.717915D+01  0.475530D+01
      6  -0.433821D+01 -0.134937D+01 -0.212437D+02 -0.429021D+01  0.648890D+01
                91            92            93            94            95 
      1  -0.616435D+02 -0.320937D+01  0.361991D+02 -0.120179D+02  0.241333D+02
      2   0.376192D+02 -0.427448D+01 -0.101312D+02  0.463896D+01 -0.193605D+02
      3   0.240243D+02  0.748385D+01 -0.260679D+02  0.737898D+01 -0.477276D+01
      4  -0.249127D+01  0.172246D+02  0.178927D+01  0.918256D+01  0.242076D+02
      5   0.317253D+02  0.349966D+01  0.129757D+02  0.783709D+01  0.381628D+01
      6   0.226157D+01 -0.797168D+01  0.131373D+01 -0.412402D+01 -0.112353D+02
                96            97            98            99           100 
      1  -0.211603D+01  0.187872D+02 -0.454206D+01  0.160873D+02  0.850948D+02
      2  -0.121494D+02 -0.292058D+01 -0.416705D+01 -0.983796D+01 -0.410511D+02
      3   0.142654D+02 -0.158666D+02  0.870912D+01 -0.624934D+01 -0.440437D+02
      4   0.661926D+01  0.440124D+01  0.607932D+00 -0.156466D+02  0.379375D+02
      5  -0.146543D+02  0.170884D+02 -0.137038D+02 -0.176218D+02  0.268461D+02
      6  -0.438262D+01 -0.162016D+01  0.249633D+01  0.126749D+02  0.832559D+01
               101           102           103           104           105 
      1   0.166915D+02  0.142539D+02  0.682736D+01  0.712997D+01  0.112815D+01
      2  -0.465915D+01 -0.850945D+01  0.655574D-01  0.811687D+00 -0.126955D+01
      3  -0.120324D+02 -0.574446D+01 -0.689292D+01 -0.794166D+01  0.141400D+00
      4   0.209835D+02  0.830204D+01  0.169233D+02  0.788455D+01  0.296187D+01
      5   0.703262D+01  0.149403D+02  0.345155D+01  0.224237D+01  0.224873D+01
      6   0.478368D+01  0.448240D+01  0.331809D+01  0.490644D+00  0.296178D+01
               106           107           108           109           110 
      1   0.297869D+01  0.969593D+00  0.503207D+01  0.929589D+00  0.597174D+01
      2  -0.290037D+01 -0.254658D+01 -0.470817D+01 -0.251167D+01 -0.341505D+01
      3  -0.783257D-01  0.157699D+01 -0.323900D+00  0.158208D+01 -0.255669D+01
      4   0.243684D+01 -0.247496D-01  0.553097D+01  0.234311D+01 -0.192860D+01
      5   0.119485D+02  0.462848D+01  0.690299D+01  0.316078D+01 -0.343377D-01
      6   0.347804D+01  0.278672D+01  0.357308D+01  0.373882D+01 -0.341230D+01
               111           112           113           114           115 
      1   0.108663D+02  0.257446D+01 -0.750937D+01 -0.486491D+01  0.767442D+01
      2   0.171092D-01 -0.182142D+01  0.342890D+01  0.197928D+01 -0.372268D+01
      3  -0.108835D+02 -0.753036D+00  0.408047D+01  0.288563D+01 -0.395175D+01
      4   0.106946D+01  0.219952D+01  0.182204D+01  0.347711D+01  0.364204D+01
      5  -0.417536D+01  0.172112D+01  0.227971D+01  0.561341D+01  0.495182D+01
      6  -0.628869D+01 -0.861369D+00  0.623134D+01  0.112838D+02  0.816763D+00
               116           117           118           119           120 
      1  -0.793489D+01 -0.243886D+02  0.670629D+00  0.170325D+00 -0.185090D+01
      2   0.122224D+01 -0.894814D+01 -0.423747D+01 -0.357175D+00 -0.312277D+00
      3   0.671265D+01  0.333367D+02  0.356684D+01  0.186850D+00  0.216318D+01
      4   0.837321D+01  0.849983D+01 -0.987788D+00  0.299272D+01  0.660209D+00
      5   0.979629D+01  0.298592D+02 -0.269497D+00  0.158509D+01  0.733363D+01
      6   0.117793D+02  0.227364D+02  0.146162D+01  0.294531D+00 -0.544796D-01
               121           122           123           124           125 
      1   0.162213D+01 -0.718677D+01 -0.552895D+01 -0.112341D+01 -0.269280D+01
      2  -0.102736D+01  0.227243D+01 -0.230969D+01  0.143921D+01 -0.276806D+01
      3  -0.594767D+00  0.491435D+01  0.783863D+01 -0.315804D+00  0.546086D+01
      4   0.178408D+01 -0.285432D+01 -0.221809D+01 -0.788747D-01 -0.261623D+01
      5   0.194038D+01 -0.242056D+01 -0.366119D+01  0.539525D+01 -0.266901D+01
      6   0.478257D-01  0.207809D+01  0.725126D+01 -0.783199D+00  0.574065D+01
               126           127           128           129           130 
      1  -0.248477D+02 -0.725341D+01  0.205861D+02  0.778518D+00  0.116559D+02
      2  -0.129394D+02  0.983747D+01 -0.292741D+02 -0.153318D+01 -0.149204D+02
      3   0.377871D+02 -0.258406D+01  0.868803D+01  0.754665D+00  0.326443D+01
      4  -0.444273D+01 -0.445558D+01  0.238533D+01 -0.567596D+00  0.630391D+01
      5  -0.124614D+02  0.668996D+00 -0.776134D+00  0.162499D+01 -0.781368D+00
      6   0.221048D+01  0.259221D+00  0.239212D+00 -0.203853D+01  0.515712D+00
               131           132           133           134           135 
      1  -0.366060D+02 -0.256544D+00  0.452311D+01 -0.663872D+01 -0.430854D+01
      2   0.567098D+02  0.137693D+01 -0.408944D+01  0.102059D+02  0.525301D+01
      3  -0.201039D+02 -0.112039D+01 -0.433666D+00 -0.356715D+01 -0.944470D+00
      4   0.851657D+01 -0.509529D+00  0.199181D+00  0.181844D+01  0.219438D+01
      5   0.215917D+00  0.212442D+01  0.374609D+01  0.261323D+01  0.924949D-01
      6  -0.988133D+00  0.743418D+01  0.963008D+00  0.887518D+01  0.140681D+01
               136           137           138           139           140 
      1   0.114137D+02  0.124055D+01 -0.251875D+01  0.362788D+01 -0.540694D+01
      2  -0.467342D+01  0.195529D+01  0.645976D+00 -0.962529D+00  0.957971D+01
      3  -0.674027D+01 -0.319584D+01  0.187277D+01 -0.266535D+01 -0.417277D+01
      4   0.178299D+02  0.146655D+02 -0.119457D+02  0.107766D+02  0.115742D+02
      5  -0.179368D+02 -0.103764D+02  0.184992D+02 -0.574637D+01 -0.897598D+01
      6  -0.109714D+02 -0.935951D+01  0.126978D+02 -0.668598D+01 -0.105513D+02
               141           142           143           144           145 
      1   0.273555D+01  0.160518D+01  0.697203D+01 -0.635372D+01  0.145577D+02
      2  -0.429484D+01 -0.214012D+01 -0.760433D+01 -0.211078D+01 -0.101640D+02
      3   0.155929D+01  0.534938D+00  0.632297D+00  0.846450D+01 -0.439376D+01
      4  -0.926101D+01 -0.182140D+02 -0.159825D+02  0.161737D+02 -0.256881D+02
      5   0.796593D+01  0.220959D+02  0.149450D+02 -0.256934D+02  0.277724D+02
      6   0.100719D+02  0.168667D+02  0.174838D+02 -0.235823D+02 -0.143024D+02
               146           147           148           149           150 
      1  -0.147448D+01  0.229388D+01 -0.850285D+00 -0.365932D+01  0.180445D+01
      2  -0.791200D+00 -0.638737D+01 -0.671221D+00  0.747747D+01 -0.151891D+01
      3   0.226568D+01  0.409349D+01  0.152151D+01 -0.381814D+01 -0.285536D+00
      4   0.197418D+02 -0.175289D+02  0.135753D+02 -0.141657D+02  0.104584D+02
      5  -0.151273D+02  0.247309D+02 -0.919851D+01  0.930889D+01 -0.848407D+01
      6   0.134291D+02 -0.149413D+02  0.908487D+01 -0.110457D+02  0.103751D+02
               151           152           153           154           155 
      1   0.377345D+01  0.208403D+01 -0.347436D+01 -0.631133D+01 -0.113487D+02
      2  -0.641973D+01  0.259218D+00 -0.776295D+01  0.791859D+01  0.172885D+02
      3   0.264628D+01 -0.234325D+01  0.112373D+02 -0.160725D+01 -0.593975D+01
      4  -0.142529D+02  0.105802D+02 -0.138603D+02  0.191398D+01  0.316651D+01
      5   0.204692D+02 -0.120807D+02  0.229606D+02 -0.102307D+01 -0.459528D+01
      6  -0.115091D+02  0.117525D+02 -0.165534D+02 -0.153357D+01 -0.185963D+01
               156           157           158           159           160 
      1   0.966754D+00 -0.674231D+01 -0.260448D+02 -0.119333D+01 -0.234922D+01
      2   0.236576D+01  0.105183D+02  0.429077D+02  0.559358D+01  0.384537D+01
      3  -0.333251D+01 -0.377603D+01 -0.168629D+02 -0.440025D+01 -0.149614D+01
      4  -0.128747D+01  0.459851D+01 -0.947858D+01  0.953138D+00  0.428228D-01
      5   0.831375D+00 -0.472118D+01 -0.498669D+01 -0.388084D+01  0.607529D+00
      6   0.185109D+01 -0.346349D+00 -0.652240D+01  0.611930D+01  0.269657D+00
               161           162           163           164           165 
      1  -0.972022D+01 -0.359658D+01 -0.697416D+01 -0.261222D+01  0.112213D+02
      2   0.156943D+02  0.469911D+01 -0.478096D+01  0.630925D+01  0.429091D+01
      3  -0.597413D+01 -0.110252D+01  0.117551D+02 -0.369703D+01 -0.155122D+02
      4  -0.396361D+01 -0.108735D+01  0.651814D+01 -0.120669D+01 -0.592195D+01
      5  -0.358912D+01 -0.197860D+01 -0.401090D+01 -0.874501D+00  0.308862D+01
      6   0.395109D+01  0.359392D+01 -0.236604D+01 -0.228694D+01  0.413411D+01
               166           167           168           169           170 
      1   0.208573D+01 -0.295759D+01 -0.702691D+01  0.894755D+01 -0.227726D+01
      2   0.358953D+01  0.218211D+00 -0.190705D+01  0.428379D+01 -0.192165D+01
      3  -0.567526D+01  0.273937D+01  0.893396D+01 -0.132313D+02  0.419891D+01
      4  -0.254528D+01  0.268561D+01  0.195808D+01 -0.733176D+01  0.258905D+01
      5  -0.253138D+00 -0.816406D+00  0.237714D+01  0.560633D+01 -0.169856D+01
      6  -0.189326D+01  0.295510D+01  0.100458D+01  0.146208D+01  0.381107D+01
               171           172           173           174           175 
      1  -0.155141D+02 -0.234323D+01 -0.128652D+02 -0.576303D+01 -0.925544D+01
      2  -0.896446D+01  0.278784D+01  0.105740D+02  0.321215D+01  0.354924D+01
      3   0.244785D+02 -0.444614D+00  0.229113D+01  0.255088D+01  0.570620D+01
      4   0.436850D+01 -0.129454D+01 -0.440554D+01 -0.475769D+01  0.813138D+01
      5   0.208460D+01  0.183396D+01 -0.400366D+01 -0.297918D+01  0.225855D+01
      6  -0.639258D+01  0.156901D+01  0.705880D+01  0.550719D+01 -0.706667D+00
               176           177           178           179           180 
      1  -0.229698D+02 -0.140370D+02 -0.242145D+01 -0.146875D+02 -0.103665D+02
      2   0.270408D+02  0.103322D+02  0.214171D+01  0.101693D+02  0.334681D+01
      3  -0.407102D+01  0.370476D+01  0.279736D+00  0.451812D+01  0.701974D+01
      4  -0.299066D+02 -0.142929D+02  0.775698D-01 -0.136409D+02 -0.978513D+01
      5  -0.144739D+02 -0.108714D+02  0.489037D+01 -0.980149D+01 -0.134652D+02
      6   0.212986D+02  0.154110D+02 -0.216589D+00  0.151459D+02  0.134957D+02
               181           182           183           184           185 
      1   0.734421D+02 -0.196280D+02  0.137593D+02 -0.171244D+02  0.913390D+01
      2  -0.296447D+02  0.365652D+01 -0.365369D+01  0.156534D+01  0.140693D+01
      3  -0.437974D+02  0.159714D+02 -0.101056D+02  0.155591D+02 -0.105408D+02
      4  -0.394269D+02  0.209651D+02 -0.879760D+01  0.236189D+02 -0.177421D+02
      5   0.813681D+01 -0.416339D+01  0.126618D+02 -0.381553D+01  0.114769D+01
      6  -0.352112D+01  0.150429D+01 -0.378009D+01  0.133021D+01  0.212702D+00
               186           187           188           189           190 
      1  -0.561586D+01  0.329874D+02 -0.106754D+02  0.116329D+02  0.189502D+02
      2   0.153012D+01 -0.113042D+02  0.238328D+01 -0.540054D+01 -0.132205D+02
      3   0.408574D+01 -0.216832D+02  0.829212D+01 -0.623233D+01 -0.572968D+01
      4   0.382906D+01 -0.224012D+02  0.124062D+02 -0.764528D+01  0.188095D+01
      5  -0.306984D+01  0.138180D+02 -0.465740D+01  0.114067D+02 -0.140571D+02
      6   0.383084D+01 -0.491301D+01  0.380009D+01 -0.476823D+01 -0.139776D+01
               191           192           193           194           195 
      1   0.445541D+01 -0.912007D+01  0.142505D+02  0.343032D+01 -0.992424D+01
      2  -0.490073D+01  0.103204D+02 -0.116651D+02 -0.501672D+01  0.130482D+02
      3   0.445316D+00 -0.120038D+01 -0.258535D+01  0.158640D+01 -0.312393D+01
      4   0.596130D+01 -0.605076D+01  0.623710D+01  0.131358D+02 -0.963631D+01
      5  -0.846573D+01  0.153237D+02 -0.156514D+02 -0.115779D+02  0.186772D+02
      6  -0.193248D+00  0.209364D+00 -0.256813D+00 -0.338634D+01  0.289847D+01
               196           197           198           199           200 
      1  -0.111265D+02 -0.665927D+01  0.808957D+01 -0.380979D-01 -0.186489D+01
      2   0.138629D+02  0.102202D+02 -0.191541D+02  0.158654D+01  0.169873D+01
      3  -0.273645D+01 -0.356091D+01  0.110645D+02 -0.154844D+01  0.166165D+00
      4  -0.565124D+01 -0.104634D+02  0.731997D+01 -0.101762D+01  0.147944D+01
      5   0.220527D+02  0.109847D+02 -0.325258D+02 -0.336390D+01  0.106116D+01
      6  -0.573449D+00  0.491038D+01  0.742907D+00  0.619155D+00  0.590623D-01
               201           202           203           204           205 
      1  -0.199450D+01 -0.219058D+01 -0.246775D+00 -0.451935D+01 -0.291529D+01
      2   0.176741D+01 -0.167853D+01  0.627407D+00  0.252767D+01  0.249335D+01
      3   0.227092D+00  0.386911D+01 -0.380632D+00  0.199168D+01  0.421945D+00
      4   0.188474D+01  0.859830D+00 -0.941911D+00 -0.225649D+01  0.225788D+01
      5   0.392091D+01  0.463965D+00 -0.706295D+00 -0.183219D+01  0.328213D+01
      6  -0.269496D+00 -0.661525D+00  0.338846D+01  0.288203D+01  0.612283D-01
               206           207           208           209           210 
      1  -0.511341D+01 -0.770931D+01 -0.387290D+00  0.898190D+00  0.236789D+01
      2   0.390848D+01  0.171309D+01 -0.201070D+01 -0.484961D+00 -0.685577D+00
      3   0.120493D+01  0.599621D+01  0.239799D+01 -0.413229D+00 -0.168231D+01
      4  -0.206144D+01 -0.395023D+01  0.141843D+01  0.206200D+01  0.209435D+01
      5  -0.320628D+01 -0.684177D+01  0.272712D+01  0.240176D+01  0.705322D+01
      6   0.415045D+01  0.655896D+01  0.207198D+01  0.442836D-01  0.728382D+00
               211           212           213           214           215 
      1   0.220152D+01 -0.649923D+01 -0.860810D+01  0.342103D+01 -0.820094D+01
      2  -0.320736D+01  0.156229D+01 -0.194360D+00 -0.283812D+01  0.915821D+00
      3   0.100585D+01  0.493694D+01  0.880246D+01 -0.582916D+00  0.728512D+01
      4  -0.447625D+00  0.341422D+01  0.428137D+01  0.235085D+01  0.424650D+01
      5   0.294915D+01  0.520768D+01  0.898283D+01  0.464932D+01  0.714424D+01
      6  -0.540032D+00  0.539696D+01  0.690891D+01  0.150902D+01  0.801769D+01
               216           217           218           219           220 
      1  -0.250681D+02  0.333363D+01 -0.839887D+01 -0.603514D+01 -0.104781D+02
      2  -0.647524D+01 -0.124211D+00  0.674343D+01  0.173237D+01  0.501458D+01
      3   0.315434D+02 -0.320942D+01  0.165544D+01  0.430277D+01  0.546348D+01
      4   0.596509D+01 -0.285156D+01 -0.357533D+01 -0.134128D+01  0.722580D+01
      5   0.232739D+02 -0.965435D+00  0.234239D+00 -0.406824D+01  0.811890D+01
      6   0.997914D+01  0.186459D+01  0.402293D+01  0.182397D+01 -0.201604D+01
               221           222           223           224           225 
      1  -0.211085D+02 -0.412287D+01 -0.463377D+01 -0.298531D+01 -0.669270D+01
      2   0.284923D+02  0.293479D+01  0.254265D+01  0.260236D-01  0.204980D+01
      3  -0.738376D+01  0.118808D+01  0.209112D+01  0.295928D+01  0.464290D+01
      4  -0.447956D+02 -0.114072D+02 -0.135504D+01 -0.254214D+01 -0.358030D+01
      5  -0.879765D+01 -0.120390D+02  0.142864D+01 -0.340548D+01 -0.379519D+01
      6   0.206615D+02  0.103814D+02  0.127388D-01  0.684824D+01  0.258064D+01
               226           227           228           229           230 
      1  -0.486964D+01  0.666884D+01 -0.165530D+02  0.790333D+01 -0.117381D+02
      2  -0.899639D+00 -0.110785D+01 -0.472839D+00 -0.389837D+01  0.414659D+01
      3   0.576928D+01 -0.556099D+01  0.170259D+02 -0.400496D+01  0.759153D+01
      4   0.404242D+01 -0.571607D+01  0.148324D+01 -0.121331D+01  0.488666D+01
      5  -0.490995D+00 -0.564875D-01 -0.973331D+01 -0.315652D+01 -0.686008D+01
      6  -0.269183D+01  0.449924D+01 -0.292796D+01  0.167546D+01 -0.569384D+01
               231           232           233           234           235 
      1   0.956232D+01 -0.168617D+02  0.768414D+01 -0.227521D+02  0.859373D+02
      2   0.361059D+01  0.612341D+01  0.157929D+01 -0.788281D+01 -0.482762D+02
      3  -0.131729D+02  0.107383D+02 -0.926342D+01  0.306349D+02 -0.376611D+02
      4  -0.862504D+01  0.377947D+01 -0.870559D+01  0.729323D+01 -0.775914D+01
      5   0.136763D+02  0.289549D+01  0.593639D+01 -0.233474D+02 -0.455003D+02
      6   0.951150D+01 -0.189139D+01  0.697663D+01 -0.653986D+01  0.107654D-01
               236           237           238           239           240 
      1  -0.951581D+00 -0.233289D+02  0.612970D+01  0.642888D+01 -0.185872D+01
      2  -0.265933D+00  0.167772D+02 -0.370449D+01 -0.229514D+01  0.241450D+01
      3   0.121751D+01  0.655171D+01 -0.242521D+01 -0.413374D+01 -0.555775D+00
      4   0.117384D+02  0.200690D+01  0.111559D+02 -0.142346D+01 -0.475440D+01
      5   0.313380D+00  0.248268D+02 -0.417237D+01 -0.575999D+01  0.388411D+01
      6  -0.381947D+01 -0.869587D+00 -0.379891D+01  0.498992D+00  0.295761D+01
               241           242           243 
      1  -0.113988D+02  0.134565D-01  0.852734D+01
      2   0.104279D+02  0.776094D+00 -0.909540D+01
      3   0.970880D+00 -0.789551D+00  0.568064D+00
      4   0.482900D+00 -0.225326D+01  0.535545D+00
      5   0.176995D+02  0.109622D+01 -0.124872D+02
      6  -0.132898D+01  0.215397D+01 -0.151580D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:42:43 2021, MaxMem=  5368709120 cpu:           20102.6 elap:            2519.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.13219 -10.27188 -10.21156 -10.20586 -10.19862
 Alpha  occ. eigenvalues --  -10.19291 -10.19187 -10.18782 -10.18625 -10.18264
 Alpha  occ. eigenvalues --  -10.18024  -1.04287  -0.87866  -0.80906  -0.75875
 Alpha  occ. eigenvalues --   -0.74039  -0.70040  -0.68550  -0.62643  -0.60530
 Alpha  occ. eigenvalues --   -0.54699  -0.52533  -0.49355  -0.48308  -0.46568
 Alpha  occ. eigenvalues --   -0.45584  -0.44600  -0.44120  -0.42716  -0.41264
 Alpha  occ. eigenvalues --   -0.40210  -0.39761  -0.38832  -0.37438  -0.36886
 Alpha  occ. eigenvalues --   -0.36633  -0.35477  -0.32932  -0.31719  -0.30854
 Alpha  occ. eigenvalues --   -0.26996  -0.25145
 Alpha virt. eigenvalues --   -0.06081  -0.01702  -0.00681  -0.00014   0.00327
 Alpha virt. eigenvalues --    0.01777   0.01947   0.02180   0.02355   0.02560
 Alpha virt. eigenvalues --    0.03887   0.04145   0.04587   0.04837   0.05263
 Alpha virt. eigenvalues --    0.05662   0.06128   0.06596   0.06686   0.06962
 Alpha virt. eigenvalues --    0.07668   0.08132   0.08872   0.09010   0.09566
 Alpha virt. eigenvalues --    0.09825   0.10183   0.10535   0.10582   0.10833
 Alpha virt. eigenvalues --    0.11277   0.11492   0.11654   0.11927   0.12272
 Alpha virt. eigenvalues --    0.12451   0.12639   0.13074   0.13670   0.13944
 Alpha virt. eigenvalues --    0.14063   0.14361   0.14590   0.15089   0.15558
 Alpha virt. eigenvalues --    0.15808   0.16154   0.16415   0.16696   0.17405
 Alpha virt. eigenvalues --    0.17620   0.18065   0.18570   0.19372   0.20107
 Alpha virt. eigenvalues --    0.20397   0.20708   0.21047   0.22100   0.22364
 Alpha virt. eigenvalues --    0.22732   0.23350   0.24101   0.24368   0.24750
 Alpha virt. eigenvalues --    0.25490   0.25830   0.25975   0.27066   0.27455
 Alpha virt. eigenvalues --    0.27474   0.28709   0.29317   0.29359   0.29782
 Alpha virt. eigenvalues --    0.30150   0.30501   0.30844   0.31700   0.32010
 Alpha virt. eigenvalues --    0.32423   0.32660   0.33338   0.33782   0.34213
 Alpha virt. eigenvalues --    0.34450   0.35378   0.35882   0.36063   0.36214
 Alpha virt. eigenvalues --    0.36623   0.37330   0.37525   0.37885   0.38048
 Alpha virt. eigenvalues --    0.39107   0.39384   0.39915   0.40185   0.41016
 Alpha virt. eigenvalues --    0.41719   0.42537   0.42918   0.43067   0.43831
 Alpha virt. eigenvalues --    0.44235   0.45069   0.45431   0.45769   0.46191
 Alpha virt. eigenvalues --    0.46900   0.47478   0.47712   0.48393   0.48900
 Alpha virt. eigenvalues --    0.50068   0.50428   0.50709   0.51528   0.52394
 Alpha virt. eigenvalues --    0.52694   0.53204   0.53392   0.53543   0.54282
 Alpha virt. eigenvalues --    0.54687   0.54837   0.55611   0.56270   0.56480
 Alpha virt. eigenvalues --    0.57070   0.57270   0.58285   0.58418   0.59348
 Alpha virt. eigenvalues --    0.60189   0.60906   0.61348   0.61412   0.62017
 Alpha virt. eigenvalues --    0.62640   0.63836   0.64365   0.64493   0.64942
 Alpha virt. eigenvalues --    0.65332   0.65729   0.66624   0.67178   0.67468
 Alpha virt. eigenvalues --    0.68016   0.68040   0.68868   0.69395   0.70103
 Alpha virt. eigenvalues --    0.70547   0.70688   0.71128   0.72269   0.72830
 Alpha virt. eigenvalues --    0.73348   0.74366   0.74870   0.75891   0.76214
 Alpha virt. eigenvalues --    0.76580   0.78094   0.78704   0.78953   0.79255
 Alpha virt. eigenvalues --    0.79711   0.80783   0.81170   0.82283   0.83079
 Alpha virt. eigenvalues --    0.83539   0.85005   0.85378   0.86183   0.87394
 Alpha virt. eigenvalues --    0.87785   0.88668   0.88939   0.90528   0.91408
 Alpha virt. eigenvalues --    0.93630   0.94087   0.94885   0.96831   0.97495
 Alpha virt. eigenvalues --    0.97765   0.98330   0.99413   1.00768   1.01894
 Alpha virt. eigenvalues --    1.03575   1.03773   1.05161   1.05850   1.06703
 Alpha virt. eigenvalues --    1.07912   1.08038   1.11295   1.12418   1.14594
 Alpha virt. eigenvalues --    1.15896   1.16549   1.17511   1.18422   1.18542
 Alpha virt. eigenvalues --    1.20608   1.21151   1.24265   1.24537   1.26443
 Alpha virt. eigenvalues --    1.27918   1.28441   1.30512   1.31921   1.33444
 Alpha virt. eigenvalues --    1.35981   1.37207   1.38376   1.39789   1.40968
 Alpha virt. eigenvalues --    1.42272   1.44236   1.45098   1.45768   1.46436
 Alpha virt. eigenvalues --    1.48900   1.49788   1.50315   1.51740   1.52717
 Alpha virt. eigenvalues --    1.54893   1.55917   1.56724   1.57313   1.58834
 Alpha virt. eigenvalues --    1.59422   1.59971   1.61422   1.62516   1.63546
 Alpha virt. eigenvalues --    1.63917   1.66023   1.66255   1.67693   1.68417
 Alpha virt. eigenvalues --    1.68983   1.70120   1.71398   1.72604   1.72774
 Alpha virt. eigenvalues --    1.73124   1.75091   1.75568   1.76772   1.79696
 Alpha virt. eigenvalues --    1.80307   1.80965   1.81220   1.82475   1.83753
 Alpha virt. eigenvalues --    1.85547   1.86343   1.87382   1.88518   1.90468
 Alpha virt. eigenvalues --    1.91094   1.91304   1.93565   1.95308   1.96638
 Alpha virt. eigenvalues --    1.98514   1.99696   2.00191   2.00536   2.01370
 Alpha virt. eigenvalues --    2.03146   2.03569   2.05081   2.05399   2.06907
 Alpha virt. eigenvalues --    2.08496   2.08895   2.09763   2.10998   2.11782
 Alpha virt. eigenvalues --    2.12652   2.14157   2.15779   2.16449   2.17857
 Alpha virt. eigenvalues --    2.19632   2.20286   2.22234   2.23361   2.23915
 Alpha virt. eigenvalues --    2.24994   2.25580   2.26496   2.28101   2.30086
 Alpha virt. eigenvalues --    2.31411   2.33465   2.35110   2.37794   2.38171
 Alpha virt. eigenvalues --    2.39312   2.39625   2.41191   2.41623   2.45292
 Alpha virt. eigenvalues --    2.46141   2.47483   2.49852   2.51398   2.52900
 Alpha virt. eigenvalues --    2.55940   2.56590   2.57449   2.58339   2.60042
 Alpha virt. eigenvalues --    2.60835   2.61586   2.63276   2.65590   2.66923
 Alpha virt. eigenvalues --    2.67370   2.69738   2.73769   2.75526   2.77169
 Alpha virt. eigenvalues --    2.78515   2.83046   2.84964   2.87324   2.89909
 Alpha virt. eigenvalues --    2.95052   3.04316   3.12438   3.16946   3.20275
 Alpha virt. eigenvalues --    3.34036   3.42204   3.43782   3.46427   3.48005
 Alpha virt. eigenvalues --    3.61580   3.67955   3.75428   3.92787   5.05721
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.413116  -0.990597   0.556135  -0.217729  -0.146292   0.026247
     2  C   -0.990597  11.253444  -5.498322   2.244768  -0.400363  -0.218756
     3  C    0.556135  -5.498322  27.447062 -10.419339   0.568457   0.076888
     4  C   -0.217729   2.244768 -10.419339  19.139712  -5.556084  -1.274042
     5  C   -0.146292  -0.400363   0.568457  -5.556084  16.842246  -2.708469
     6  C    0.026247  -0.218756   0.076888  -1.274042  -2.708469   9.447846
     7  O    0.000406  -0.004440  -0.003536  -0.049569  -0.128154   0.281522
     8  C   -0.428437  -0.819389   0.017199  -0.327084  -0.027450  -0.009468
     9  C   -0.272394  -1.313087   1.914715  -0.876371   0.263324   0.046342
    10  C   -0.347057   2.146362  -4.878157   1.222945  -0.548617  -0.194052
    11  C   -0.022071   0.033788  -0.350801  -0.071733  -0.145836   0.283808
    12  H    0.191082  -0.016650  -0.328548   0.086587  -0.031821   0.002667
    13  H   -0.308075   0.286345   0.131081   0.243271   0.063577   0.000686
    14  H   -0.225769   0.376370  -4.211155   1.337173  -0.101312  -0.045310
    15  H    0.017141  -0.179590  -0.694896   0.206569   0.209776  -0.006800
    16  H    0.038975   0.053930   0.322895   0.421657  -0.065748   0.001096
    17  H   -0.183474  -0.150603   0.253734  -0.053891   0.025910   0.005606
    18  H    0.294472  -0.013046  -0.042661   0.001675   0.030028   0.001991
    19  H    0.118780   0.474016  -0.559893   0.141569  -0.074697  -0.016388
    20  H    0.082347  -0.193017   0.006295   0.105031   0.001286   0.013441
    21  H    0.077092  -0.012655  -0.058658   0.021709  -0.008047  -0.001653
    22  H   -0.102629   0.846943  -0.218228   0.003933  -0.014256  -0.005402
    23  H    0.134724  -0.268691  -0.035649  -1.607690  -1.478826   0.106953
    24  H    0.043715  -0.033497   0.050511   0.505146  -2.164775   0.131545
    25  H    0.003639  -0.020860   0.053531   0.097437  -0.273460   0.063167
    26  H   -0.003050  -0.015276   0.004173   0.063415  -0.250453   0.060508
    27  H   -0.003055   0.007590   0.004047  -0.031573   0.403933   0.010614
               7          8          9         10         11         12
     1  C    0.000406  -0.428437  -0.272394  -0.347057  -0.022071   0.191082
     2  C   -0.004440  -0.819389  -1.313087   2.146362   0.033788  -0.016650
     3  C   -0.003536   0.017199   1.914715  -4.878157  -0.350801  -0.328548
     4  C   -0.049569  -0.327084  -0.876371   1.222945  -0.071733   0.086587
     5  C   -0.128154  -0.027450   0.263324  -0.548617  -0.145836  -0.031821
     6  C    0.281522  -0.009468   0.046342  -0.194052   0.283808   0.002667
     7  O    8.532313   0.001028   0.000391   0.001738   0.032083  -0.000021
     8  C    0.001028   6.387207  -0.540836   0.362019   0.009146   0.046226
     9  C    0.000391  -0.540836   8.305375  -1.592784  -0.014003  -0.916353
    10  C    0.001738   0.362019  -1.592784   9.529445  -0.013898   0.347383
    11  C    0.032083   0.009146  -0.014003  -0.013898   4.843920   0.000009
    12  H   -0.000021   0.046226  -0.916353   0.347383   0.000009   3.211667
    13  H    0.000324  -0.002196  -0.690606  -0.190269   0.006087  -0.923984
    14  H   -0.001247   0.032774   0.020035   0.741158   0.034947   0.046045
    15  H   -0.000582  -0.116148   0.340384  -0.451501  -0.003488   0.229197
    16  H    0.000121   0.058408  -0.074410  -1.149135   0.003003  -0.309656
    17  H    0.000034   0.265942   0.008974  -0.081726   0.000942   0.020125
    18  H    0.000779  -0.101882   0.034688  -0.050319  -0.001676  -0.002961
    19  H   -0.001156  -0.080716  -0.225725   0.309890  -0.013148   0.046403
    20  H   -0.000077   0.173990  -0.074466   0.012587   0.002709   0.032585
    21  H    0.000003  -0.003874   0.093231   0.023683  -0.000279  -0.058908
    22  H    0.000048  -0.177839  -0.079748  -0.070146  -0.000177  -0.050123
    23  H   -0.008592   0.070105  -0.197529  -0.264394   0.067260   0.056226
    24  H   -0.098084  -0.006619  -0.011781   0.003566  -0.099466   0.002355
    25  H    0.030918  -0.000893   0.008559  -0.032635   0.377079  -0.000638
    26  H    0.034246  -0.001672   0.020057  -0.025622   0.431878  -0.000647
    27  H   -0.045541   0.000510  -0.001126   0.006457  -0.233367   0.000079
              13         14         15         16         17         18
     1  C   -0.308075  -0.225769   0.017141   0.038975  -0.183474   0.294472
     2  C    0.286345   0.376370  -0.179590   0.053930  -0.150603  -0.013046
     3  C    0.131081  -4.211155  -0.694896   0.322895   0.253734  -0.042661
     4  C    0.243271   1.337173   0.206569   0.421657  -0.053891   0.001675
     5  C    0.063577  -0.101312   0.209776  -0.065748   0.025910   0.030028
     6  C    0.000686  -0.045310  -0.006800   0.001096   0.005606   0.001991
     7  O    0.000324  -0.001247  -0.000582   0.000121   0.000034   0.000779
     8  C   -0.002196   0.032774  -0.116148   0.058408   0.265942  -0.101882
     9  C   -0.690606   0.020035   0.340384  -0.074410   0.008974   0.034688
    10  C   -0.190269   0.741158  -0.451501  -1.149135  -0.081726  -0.050319
    11  C    0.006087   0.034947  -0.003488   0.003003   0.000942  -0.001676
    12  H   -0.923984   0.046045   0.229197  -0.309656   0.020125  -0.002961
    13  H    3.365575  -0.040450  -0.344273   0.241013  -0.027472   0.024952
    14  H   -0.040450   4.163663   0.211640  -0.232177  -0.004378   0.008184
    15  H   -0.344273   0.211640   3.073082  -0.795359   0.007862  -0.003480
    16  H    0.241013  -0.232177  -0.795359   3.110589  -0.004365  -0.000161
    17  H   -0.027472  -0.004378   0.007862  -0.004365   2.192742  -0.446403
    18  H    0.024952   0.008184  -0.003480  -0.000161  -0.446403   1.957580
    19  H   -0.127461  -0.002656   0.009381   0.000955  -0.566544  -0.442734
    20  H   -0.023998  -0.026799   0.000205   0.002639   0.044712  -0.075921
    21  H    0.035608   0.021291  -0.007443   0.016060  -0.072625   0.029531
    22  H    0.024768  -0.058907  -0.001541  -0.022029   0.030658   0.017294
    23  H   -0.105703   0.072306  -0.003186   0.040210  -0.002251  -0.042768
    24  H   -0.014725  -0.168964   0.008977  -0.000562   0.000453  -0.012564
    25  H   -0.000989   0.004093  -0.005476  -0.000396  -0.000251   0.002619
    26  H    0.005418   0.005999  -0.001679  -0.001886   0.005545   0.004157
    27  H    0.000955  -0.000814   0.002712   0.000638  -0.000641  -0.000112
              19         20         21         22         23         24
     1  C    0.118780   0.082347   0.077092  -0.102629   0.134724   0.043715
     2  C    0.474016  -0.193017  -0.012655   0.846943  -0.268691  -0.033497
     3  C   -0.559893   0.006295  -0.058658  -0.218228  -0.035649   0.050511
     4  C    0.141569   0.105031   0.021709   0.003933  -1.607690   0.505146
     5  C   -0.074697   0.001286  -0.008047  -0.014256  -1.478826  -2.164775
     6  C   -0.016388   0.013441  -0.001653  -0.005402   0.106953   0.131545
     7  O   -0.001156  -0.000077   0.000003   0.000048  -0.008592  -0.098084
     8  C   -0.080716   0.173990  -0.003874  -0.177839   0.070105  -0.006619
     9  C   -0.225725  -0.074466   0.093231  -0.079748  -0.197529  -0.011781
    10  C    0.309890   0.012587   0.023683  -0.070146  -0.264394   0.003566
    11  C   -0.013148   0.002709  -0.000279  -0.000177   0.067260  -0.099466
    12  H    0.046403   0.032585  -0.058908  -0.050123   0.056226   0.002355
    13  H   -0.127461  -0.023998   0.035608   0.024768  -0.105703  -0.014725
    14  H   -0.002656  -0.026799   0.021291  -0.058907   0.072306  -0.168964
    15  H    0.009381   0.000205  -0.007443  -0.001541  -0.003186   0.008977
    16  H    0.000955   0.002639   0.016060  -0.022029   0.040210  -0.000562
    17  H   -0.566544   0.044712  -0.072625   0.030658  -0.002251   0.000453
    18  H   -0.442734  -0.075921   0.029531   0.017294  -0.042768  -0.012564
    19  H    2.238871   0.026045   0.019913  -0.049191   0.115701   0.024157
    20  H    0.026045   2.119332  -0.488465  -0.500837   0.025490   0.008682
    21  H    0.019913  -0.488465   2.183939  -0.526098  -0.000657   0.000031
    22  H   -0.049191  -0.500837  -0.526098   2.284090  -0.011008  -0.003878
    23  H    0.115701   0.025490  -0.000657  -0.011008   5.634487   0.318604
    24  H    0.024157   0.008682   0.000031  -0.003878   0.318604   3.579857
    25  H    0.002410  -0.000141  -0.000076   0.000004  -0.106323  -0.028867
    26  H   -0.048205  -0.000010  -0.000761   0.000315  -0.072873  -0.028257
    27  H    0.003678   0.000076   0.000111  -0.000052   0.000771   0.008283
              25         26         27
     1  C    0.003639  -0.003050  -0.003055
     2  C   -0.020860  -0.015276   0.007590
     3  C    0.053531   0.004173   0.004047
     4  C    0.097437   0.063415  -0.031573
     5  C   -0.273460  -0.250453   0.403933
     6  C    0.063167   0.060508   0.010614
     7  O    0.030918   0.034246  -0.045541
     8  C   -0.000893  -0.001672   0.000510
     9  C    0.008559   0.020057  -0.001126
    10  C   -0.032635  -0.025622   0.006457
    11  C    0.377079   0.431878  -0.233367
    12  H   -0.000638  -0.000647   0.000079
    13  H   -0.000989   0.005418   0.000955
    14  H    0.004093   0.005999  -0.000814
    15  H   -0.005476  -0.001679   0.002712
    16  H   -0.000396  -0.001886   0.000638
    17  H   -0.000251   0.005545  -0.000641
    18  H    0.002619   0.004157  -0.000112
    19  H    0.002410  -0.048205   0.003678
    20  H   -0.000141  -0.000010   0.000076
    21  H   -0.000076  -0.000761   0.000111
    22  H    0.000004   0.000315  -0.000052
    23  H   -0.106323  -0.072873   0.000771
    24  H   -0.028867  -0.028257   0.008283
    25  H    1.439431  -0.141643  -0.382319
    26  H   -0.141643   1.412591  -0.394448
    27  H   -0.382319  -0.394448   2.131910
 Mulliken charges:
               1
     1  C    1.252760
     2  C   -1.574716
     3  C    1.893123
     4  C    0.642508
     5  C    1.716124
     6  C   -0.080589
     7  O   -0.574957
     8  C    1.219948
     9  C    1.825145
    10  C    1.183083
    11  C    0.843286
    12  H   -0.678324
    13  H   -0.629457
    14  H   -0.955736
    15  H   -0.701484
    16  H   -0.656303
    17  H   -0.268615
    18  H   -0.171263
    19  H   -0.323255
    20  H   -0.273719
    21  H   -0.282003
    22  H   -0.315964
    23  H   -1.436696
    24  H   -1.013841
    25  H   -0.087920
    26  H   -0.061817
    27  H   -0.489316
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.489626
     2  C   -1.574716
     3  C    0.937386
     4  C   -0.794188
     5  C    0.702283
     6  C   -0.080589
     7  O   -0.574957
     8  C    0.348262
     9  C    0.517364
    10  C   -0.174704
    11  C    0.204231
 Electronic spatial extent (au):  <R**2>=           2455.6927
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.7997    Y=              1.2179    Z=              1.6957  Tot=              4.3355
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -84.2815   YY=            -70.2201   ZZ=            -69.2509
   XY=             -4.7749   XZ=             -7.8832   YZ=             -0.2874
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.6973   YY=              4.3641   ZZ=              5.3333
   XY=             -4.7749   XZ=             -7.8832   YZ=             -0.2874
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             66.8095  YYY=             -1.0705  ZZZ=             -2.6239  XYY=             -2.4260
  XXY=             18.9575  XXZ=             28.6662  XZZ=             -0.2876  YZZ=              0.1472
  YYZ=              0.1394  XYZ=              1.6738
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2791.6359 YYYY=           -470.2383 ZZZZ=           -409.7684 XXXY=            -72.1714
 XXXZ=           -111.0469 YYYX=              2.0525 YYYZ=              5.4502 ZZZX=              0.2403
 ZZZY=              1.4245 XXYY=           -502.8470 XXZZ=           -497.6556 YYZZ=           -148.6482
 XXYZ=            -23.7553 YYXZ=             -2.2145 ZZXY=              1.4341
 N-N= 6.101488227447D+02 E-N=-2.301696044374D+03  KE= 4.631416129587D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:42:43 2021, MaxMem=  5368709120 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.46430138D+00 4.66287825D-01 6.48282452D-01
 Polarizability= 1.60415177D+02 6.22841270D+00 1.04662517D+02
                 4.05450575D+00 4.09678593D+00 1.07452185D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.4617   -2.4626        3.7667    3.7691
 2      2.4617    2.4626       -2.2348   -2.2353      -32.9943  -32.9885
 3     -3.7667   -3.7691       31.5385   31.5307        2.2367    2.2353
 4      2.2348    2.2353        0.0000    0.0000       -3.7724   -3.7691
 5      1.4558    1.4578        3.7724    3.7691       -2.4593   -2.4626
 6     -2.2367   -2.2353        2.4593    2.4626       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        7.3877    7.3877       11.3073   11.3073
 2      6.7058    6.7058        0.0000    0.0000       11.3073   11.3073
 3      6.7058    6.7058        7.3877    7.3877       -0.0000    0.0000
 4      7.3877    7.3877       -6.7058   -6.7058      -98.9654  -98.9654
 5    -11.3073  -11.3073       94.5920   94.5920        6.7058    6.7058
 6      4.3734    4.3734       11.3073   11.3073       -7.3877   -7.3877
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1395    0.0000        9.8520    9.8503      -14.9436  -15.0764
 2     -9.9830   -9.8503        8.9788    8.9411      132.0532  131.9539
 3     15.0135   15.0764     -126.1793 -126.1226       -9.0368   -8.9411
 4     -8.9542   -8.9411        0.0187    0.0000       15.0563   15.0764
 5     -5.7681   -5.8313      -15.0835  -15.0764        9.7762    9.8503
 6      8.9346    8.9411       -9.8489   -9.8503        0.0276    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1076    0.0000       29.0939   29.0225      -28.5440  -28.5111
 2    -29.0522  -29.0225      -31.2306  -31.3548        4.9908    4.7800
 3     28.4351   28.5111       63.0409   62.7518       31.4150   31.3548
 4     31.2594   31.3548        0.0782    0.0000       28.6310   28.5111
 5    -67.6381  -67.5319      -28.6632  -28.5111       29.1382   29.0225
 6    -31.3279  -31.3548      -29.1043  -29.0225       -0.1058    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     55.1745   54.9793       34.6619   34.6390      -35.5948  -35.1795
 2     81.2232   81.1438       52.6923   52.6330      -35.2830  -35.1795
 3     81.2022   81.1438       34.7691   34.6390      -18.2994  -18.2901
 4    -18.0732  -17.9941      -26.1228  -26.1645       23.6309   23.3858
 5     16.9741   16.8893       57.5146   57.2863       26.2004   26.1645
 6    -80.8581  -80.6721      -16.9650  -16.8893       18.1805   17.9941
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.8724   -3.3814   -0.0006   -0.0003    0.0004    5.3328
 Low frequencies ---   38.5934   61.4722   73.8002
 Diagonal vibrational polarizability:
       18.0980461      53.8424345      15.2395415
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     38.5739                61.4698                73.7944
 Red. masses --      4.1603                 2.9417                 3.0486
 Frc consts  --      0.0036                 0.0065                 0.0098
 IR Inten    --      3.3453                 0.4598                 0.9407
 RamAct Fr= 1--      2.6057                 0.6557                 0.7983
  Dep-P Fr= 1--      0.7368                 0.7490                 0.5315
  Dep-U Fr= 1--      0.8484                 0.8565                 0.6941
 Alpha2 Fr= 1--      0.0006                 0.0000                 0.0034
 Beta2  Fr= 1--      0.3685                 0.0936                 0.0923
 AlphaG Fr= 1--     -0.0016                -0.0000                 0.0092
 Gamma2 Fr= 1--     -0.1347                 0.1750                 0.3674
 Delta2 Fr= 1--      0.0965                 0.0588                 0.0858
 Raman1 Fr= 1--      10.423                  2.623                  3.193
 ROA1   Fr= 1--      -9.845                 18.679                 38.014
 CID1   Fr= 1--      -0.945                  7.122                 11.905
 Raman2 Fr= 1--       4.421                  1.123                  1.108
 ROA2   Fr= 1--      -4.005                  3.729                  8.130
 CID2   Fr= 1--      -0.906                  3.320                  7.337
 Raman3 Fr= 1--       8.843                  2.246                  2.216
 ROA3   Fr= 1--      -9.845                 18.679                 38.014
 CID3   Fr= 1--      -1.113                  8.315                 17.153
 RC180  Fr= 1--       0.697                  0.713                  0.388
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.05   0.11     0.08  -0.13  -0.08     0.18  -0.00   0.05
     2   6     0.05   0.01   0.03     0.02  -0.02  -0.00     0.07  -0.01  -0.01
     3   6    -0.01  -0.11   0.01     0.00  -0.09  -0.03    -0.03  -0.02   0.10
     4   6    -0.00  -0.13   0.03     0.01  -0.10  -0.01    -0.02  -0.07   0.12
     5   6    -0.03  -0.01  -0.01    -0.02  -0.06   0.00    -0.01  -0.03   0.07
     6   6    -0.04   0.04  -0.02    -0.01   0.04   0.02    -0.05   0.01  -0.03
     7   8    -0.09   0.28  -0.12    -0.04   0.03   0.06    -0.00  -0.02  -0.07
     8   6     0.06   0.01   0.05     0.15   0.14   0.03    -0.03  -0.01  -0.12
     9   6    -0.01   0.07  -0.07    -0.15   0.01   0.07     0.12  -0.01  -0.05
    10   6    -0.08  -0.05  -0.09    -0.07  -0.05  -0.02    -0.06   0.00   0.08
    11   6     0.02  -0.20   0.09     0.02   0.18  -0.03    -0.16   0.13  -0.10
    12   1    -0.02   0.13  -0.11    -0.17   0.10   0.21     0.12   0.01  -0.21
    13   1     0.00   0.11  -0.07    -0.29  -0.03   0.02     0.27  -0.04   0.02
    14   1    -0.02  -0.17   0.03     0.01  -0.11  -0.02    -0.06   0.01   0.09
    15   1    -0.13  -0.07  -0.13    -0.12  -0.06  -0.11    -0.08  -0.05   0.21
    16   1    -0.12  -0.06  -0.12     0.00  -0.07   0.03    -0.19   0.10   0.02
    17   1     0.17   0.14   0.11     0.08  -0.06  -0.04     0.25   0.02  -0.03
    18   1     0.17  -0.01   0.18     0.21  -0.16  -0.16     0.15  -0.02   0.11
    19   1     0.13   0.05   0.10    -0.03  -0.25  -0.11     0.25  -0.00   0.12
    20   1     0.10  -0.05   0.11     0.29   0.12  -0.04    -0.09  -0.00  -0.08
    21   1     0.10   0.10   0.05     0.16   0.22   0.06     0.03  -0.01  -0.22
    22   1     0.00  -0.02  -0.01     0.12   0.22   0.08    -0.12  -0.00  -0.16
    23   1     0.02  -0.21   0.07     0.02  -0.08  -0.02    -0.03  -0.10   0.14
    24   1    -0.06   0.10  -0.06    -0.05  -0.09   0.01     0.03   0.00   0.06
    25   1     0.12  -0.24   0.29     0.04   0.18  -0.15    -0.22   0.15  -0.19
    26   1    -0.02  -0.40  -0.02     0.02   0.24   0.01    -0.18   0.24  -0.00
    27   1     0.01  -0.15   0.07     0.02   0.22  -0.01    -0.17   0.10  -0.15
                      4                      5                      6
                      A                      A                      A
 Frequencies --    124.6779               151.6878               155.2073
 Red. masses --      1.0329                 2.8305                 3.5188
 Frc consts  --      0.0095                 0.0384                 0.0499
 IR Inten    --      0.0320                 2.8155                 1.1385
 RamAct Fr= 1--      0.0741                 0.4800                 0.9167
  Dep-P Fr= 1--      0.7267                 0.6019                 0.6006
  Dep-U Fr= 1--      0.8417                 0.7515                 0.7505
 Alpha2 Fr= 1--      0.0000                 0.0013                 0.0025
 Beta2  Fr= 1--      0.0104                 0.0601                 0.1147
 AlphaG Fr= 1--     -0.0002                 0.0135                -0.0652
 Gamma2 Fr= 1--     -0.0320                -0.6972                 0.3989
 Delta2 Fr= 1--     -0.0111                 0.1612                 0.1096
 Raman1 Fr= 1--       0.297                  1.920                  3.667
 ROA1   Fr= 1--      -3.423                -61.774                 41.799
 CID1   Fr= 1--     -11.543                -32.172                 11.399
 Raman2 Fr= 1--       0.125                  0.721                  1.376
 ROA2   Fr= 1--      -0.679                -18.022                  8.696
 CID2   Fr= 1--      -5.437                -24.980                  6.320
 Raman3 Fr= 1--       0.250                  1.443                  2.752
 ROA3   Fr= 1--      -3.423                -61.774                 41.799
 CID3   Fr= 1--     -13.714                -42.811                 15.190
 RC180  Fr= 1--       0.683                  0.503                  0.501
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.05   0.05     0.08  -0.04   0.04
     2   6     0.00   0.00  -0.00     0.01   0.01   0.00     0.01  -0.03   0.02
     3   6    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.01  -0.06   0.01
     4   6    -0.00   0.01   0.00    -0.02  -0.12  -0.10    -0.00   0.01   0.02
     5   6     0.00   0.00   0.01    -0.04   0.01  -0.17    -0.08   0.36  -0.12
     6   6    -0.00   0.01  -0.00     0.01   0.00  -0.05    -0.03   0.08  -0.02
     7   8     0.01  -0.03   0.01    -0.07  -0.02   0.09     0.03  -0.16   0.05
     8   6    -0.00   0.01  -0.01    -0.01  -0.05   0.01     0.04  -0.00   0.03
     9   6     0.00   0.00  -0.00     0.04  -0.00   0.00    -0.02  -0.01  -0.01
    10   6     0.00   0.00  -0.00    -0.13   0.05   0.15     0.02  -0.06  -0.06
    11   6    -0.01   0.01  -0.01     0.19   0.05  -0.03    -0.06  -0.02   0.01
    12   1     0.00   0.00   0.00     0.04   0.02  -0.16    -0.02   0.00   0.04
    13   1    -0.00   0.00  -0.00     0.20  -0.07   0.09    -0.07   0.02  -0.03
    14   1    -0.01  -0.00   0.00     0.12   0.09  -0.04    -0.03  -0.09   0.02
    15   1     0.01   0.00  -0.00    -0.23  -0.08   0.35     0.04  -0.02  -0.13
    16   1     0.00  -0.00  -0.00    -0.23   0.29   0.15     0.05  -0.14  -0.07
    17   1     0.01  -0.00  -0.00     0.00   0.05   0.04     0.11   0.04   0.05
    18   1     0.01  -0.00  -0.01    -0.04   0.05   0.09     0.14  -0.09   0.06
    19   1     0.00  -0.01  -0.00     0.03   0.10   0.05     0.05  -0.08   0.04
    20   1    -0.00   0.01  -0.01    -0.04  -0.05   0.04     0.08  -0.04   0.05
    21   1     0.00   0.01  -0.01    -0.02  -0.06   0.01     0.05   0.05   0.03
    22   1    -0.00   0.01  -0.00    -0.00  -0.07  -0.01     0.00  -0.01   0.01
    23   1    -0.00   0.03  -0.00    -0.05  -0.27  -0.04     0.07  -0.29   0.16
    24   1     0.01  -0.02   0.02    -0.09   0.12  -0.22    -0.13   0.64  -0.24
    25   1     0.52  -0.15   0.20     0.28   0.03  -0.07    -0.12  -0.01   0.10
    26   1    -0.44  -0.40   0.04     0.20   0.01  -0.07    -0.02  -0.05  -0.04
    27   1    -0.10   0.50  -0.22     0.20   0.15   0.06    -0.05  -0.13   0.03
                      7                      8                      9
                      A                      A                      A
 Frequencies --    219.0849               242.2429               268.9996
 Red. masses --      1.2364                 1.9348                 1.4194
 Frc consts  --      0.0350                 0.0669                 0.0605
 IR Inten    --      0.1062                 0.5001                 0.2434
 RamAct Fr= 1--      0.2129                 0.7540                 2.6977
  Dep-P Fr= 1--      0.3604                 0.3231                 0.2306
  Dep-U Fr= 1--      0.5298                 0.4884                 0.3748
 Alpha2 Fr= 1--      0.0018                 0.0072                 0.0337
 Beta2  Fr= 1--      0.0188                 0.0614                 0.1685
 AlphaG Fr= 1--      0.0067                 0.0014                 0.0554
 Gamma2 Fr= 1--      0.4335                 0.0449                 0.6421
 Delta2 Fr= 1--     -0.0916                 0.1294                -0.0125
 Raman1 Fr= 1--       0.852                  3.016                 10.791
 ROA1   Fr= 1--      38.683                  8.451                 61.244
 CID1   Fr= 1--      45.426                  2.802                  5.675
 Raman2 Fr= 1--       0.226                  0.737                  2.022
 ROA2   Fr= 1--      11.137                  0.042                 15.510
 CID2   Fr= 1--      49.370                  0.057                  7.671
 Raman3 Fr= 1--       0.451                  1.473                  4.044
 ROA3   Fr= 1--      38.683                  8.451                 61.244
 CID3   Fr= 1--      85.740                  5.736                 15.144
 RC180  Fr= 1--       0.060                 -0.023                 -0.250
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.00   0.05    -0.06   0.03  -0.08     0.04  -0.01   0.01
     2   6    -0.02  -0.01   0.01     0.04  -0.00  -0.06     0.00  -0.01  -0.00
     3   6    -0.01   0.02   0.00     0.03   0.01  -0.05     0.00   0.03  -0.01
     4   6    -0.02   0.04  -0.03     0.02  -0.02  -0.01    -0.04   0.07  -0.07
     5   6    -0.00  -0.01  -0.02    -0.02   0.01   0.04    -0.04  -0.02  -0.03
     6   6     0.00  -0.00  -0.01    -0.04   0.01   0.04    -0.04  -0.00  -0.01
     7   8    -0.01   0.00   0.00    -0.02   0.00   0.01    -0.07  -0.00   0.02
     8   6    -0.06   0.00  -0.04     0.14  -0.06   0.08     0.03   0.01   0.01
     9   6    -0.02  -0.02   0.03     0.08  -0.01  -0.06     0.04  -0.04   0.02
    10   6     0.03  -0.01   0.01    -0.03   0.03   0.04     0.06  -0.00   0.03
    11   6     0.03  -0.01  -0.01    -0.12  -0.01   0.03    -0.02  -0.02   0.00
    12   1    -0.02  -0.04   0.08     0.08  -0.02  -0.20     0.05  -0.08   0.01
    13   1    -0.06  -0.03   0.01     0.21  -0.03   0.00     0.06  -0.04   0.02
    14   1     0.00   0.02   0.00     0.03   0.07  -0.07     0.04   0.05  -0.01
    15   1     0.05   0.02  -0.01    -0.08  -0.04   0.16     0.10   0.02   0.05
    16   1     0.06  -0.04   0.02    -0.10   0.18   0.03     0.07  -0.00   0.04
    17   1     0.06   0.44   0.33    -0.16   0.24   0.20     0.06   0.05   0.03
    18   1     0.52  -0.28   0.10     0.22  -0.10  -0.12     0.10  -0.06   0.03
    19   1    -0.27  -0.14  -0.21    -0.33  -0.02  -0.33     0.01  -0.03  -0.01
    20   1    -0.15   0.12  -0.17     0.19  -0.03   0.00     0.23  -0.31   0.39
    21   1    -0.11  -0.18  -0.07     0.01  -0.11   0.24     0.25   0.51  -0.02
    22   1     0.04   0.06   0.06     0.32  -0.07   0.16    -0.34  -0.13  -0.30
    23   1    -0.04   0.10  -0.06     0.06  -0.03  -0.00    -0.07   0.17  -0.12
    24   1     0.01  -0.06   0.01    -0.07   0.02   0.03    -0.03  -0.12   0.02
    25   1     0.03  -0.01  -0.01    -0.15   0.00   0.06    -0.03  -0.02   0.01
    26   1     0.05  -0.01  -0.02    -0.15   0.00   0.06    -0.01  -0.02  -0.02
    27   1     0.04  -0.01   0.02    -0.13  -0.04  -0.03    -0.02  -0.03   0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    279.5889               332.3794               354.3342
 Red. masses --      1.9065                 2.3038                 2.2643
 Frc consts  --      0.0878                 0.1500                 0.1675
 IR Inten    --      0.5660                 0.0630                 0.1121
 RamAct Fr= 1--      4.8167                 0.9467                 1.7319
  Dep-P Fr= 1--      0.2048                 0.5648                 0.7156
  Dep-U Fr= 1--      0.3400                 0.7219                 0.8342
 Alpha2 Fr= 1--      0.0646                 0.0033                 0.0010
 Beta2  Fr= 1--      0.2730                 0.1139                 0.2408
 AlphaG Fr= 1--      0.0243                 0.0054                 0.0008
 Gamma2 Fr= 1--      0.5021                -1.2107                -0.9618
 Delta2 Fr= 1--      0.0098                -0.0916                -0.5363
 Raman1 Fr= 1--      19.267                  3.787                  6.928
 ROA1   Fr= 1--      48.517               -119.159               -109.494
 CID1   Fr= 1--       2.518                -31.468                -15.805
 Raman2 Fr= 1--       3.276                  1.367                  2.890
 ROA2   Fr= 1--      11.972                -28.325                -18.792
 CID2   Fr= 1--       3.655                -20.724                 -6.503
 Raman3 Fr= 1--       6.551                  2.733                  5.779
 ROA3   Fr= 1--      48.517               -119.159               -109.494
 CID3   Fr= 1--       7.406                -43.593                -18.946
 RC180  Fr= 1--      -0.320                  0.444                  0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.03    -0.11  -0.06  -0.02     0.11  -0.14  -0.04
     2   6    -0.04  -0.00  -0.03    -0.03   0.01   0.08    -0.03   0.00   0.02
     3   6    -0.02  -0.01  -0.00    -0.05  -0.03   0.11    -0.05   0.01   0.02
     4   6     0.05  -0.03   0.09    -0.05  -0.01   0.09    -0.05   0.16  -0.01
     5   6     0.06   0.03   0.05    -0.01   0.00  -0.01     0.00   0.03   0.02
     6   6     0.08   0.01   0.01    -0.02  -0.02  -0.04     0.01   0.03  -0.03
     7   8     0.12   0.01  -0.04    -0.04  -0.02  -0.01     0.03  -0.02  -0.02
     8   6    -0.05  -0.05  -0.01    -0.00   0.14   0.02    -0.00  -0.08   0.11
     9   6    -0.08   0.01  -0.02     0.14   0.01  -0.07    -0.01   0.05  -0.06
    10   6    -0.10   0.02   0.00     0.03  -0.05  -0.05    -0.11   0.03  -0.01
    11   6     0.05   0.02   0.00     0.10   0.00  -0.04     0.06  -0.01  -0.00
    12   1    -0.08   0.05  -0.03     0.17  -0.11  -0.31    -0.01   0.05  -0.19
    13   1    -0.07  -0.02  -0.01     0.36   0.19  -0.03     0.10   0.09  -0.02
    14   1    -0.09  -0.00  -0.00    -0.08  -0.10   0.14    -0.06  -0.03   0.04
    15   1    -0.16  -0.03   0.03     0.10  -0.01  -0.04    -0.17  -0.04   0.08
    16   1    -0.12   0.08   0.01    -0.07  -0.13  -0.15    -0.19   0.14  -0.03
    17   1    -0.10   0.19   0.15    -0.22  -0.04   0.13     0.21  -0.19  -0.21
    18   1     0.18  -0.12  -0.05     0.04  -0.06  -0.18     0.13  -0.09  -0.14
    19   1    -0.26  -0.07  -0.19    -0.29  -0.15  -0.16     0.15  -0.31   0.12
    20   1     0.04  -0.30   0.33     0.10   0.14  -0.05    -0.03  -0.07   0.10
    21   1     0.13   0.32  -0.07     0.05   0.21  -0.01    -0.12  -0.16   0.24
    22   1    -0.34  -0.20  -0.30    -0.09   0.25   0.08     0.17  -0.15   0.13
    23   1     0.09  -0.10   0.12    -0.10  -0.03   0.09    -0.08   0.38  -0.10
    24   1     0.08   0.11   0.02     0.07   0.03  -0.01     0.09  -0.17   0.10
    25   1     0.05   0.02  -0.01     0.14  -0.01  -0.08     0.06  -0.01   0.03
    26   1     0.03   0.03   0.02     0.15  -0.01  -0.09     0.11  -0.04  -0.07
    27   1     0.05   0.03  -0.01     0.12   0.04   0.07     0.08  -0.02   0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    371.0679               402.3419               446.9861
 Red. masses --      2.2837                 2.5137                 2.3439
 Frc consts  --      0.1853                 0.2397                 0.2759
 IR Inten    --      0.4749                 0.0742                 0.1198
 RamAct Fr= 1--      1.4591                 0.5557                 1.3483
  Dep-P Fr= 1--      0.1739                 0.5591                 0.5576
  Dep-U Fr= 1--      0.2963                 0.7172                 0.7160
 Alpha2 Fr= 1--      0.0212                 0.0020                 0.0049
 Beta2  Fr= 1--      0.0720                 0.0664                 0.1609
 AlphaG Fr= 1--     -0.0035                -0.0161                -0.0320
 Gamma2 Fr= 1--     -0.3542                 0.7770                 0.5503
 Delta2 Fr= 1--      0.1092                 0.1232                 0.6271
 Raman1 Fr= 1--       5.836                  2.223                  5.393
 ROA1   Fr= 1--     -30.509                 78.534                 72.902
 CID1   Fr= 1--      -5.227                 35.332                 13.517
 Raman2 Fr= 1--       0.865                  0.797                  1.931
 ROA2   Fr= 1--      -9.375                 17.663                  8.191
 CID2   Fr= 1--     -10.844                 22.159                  4.242
 Raman3 Fr= 1--       1.729                  1.594                  3.862
 ROA3   Fr= 1--     -30.509                 78.534                 72.902
 CID3   Fr= 1--     -17.645                 49.261                 18.879
 RC180  Fr= 1--      -0.407                  0.434                  0.432
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.04  -0.11     0.03   0.09   0.00    -0.04   0.06  -0.05
     2   6     0.04   0.09   0.02    -0.03  -0.04  -0.13     0.17   0.00   0.02
     3   6     0.02   0.08   0.04    -0.10   0.08   0.01     0.04  -0.10   0.09
     4   6    -0.00  -0.10   0.06    -0.06   0.04   0.15    -0.01   0.07   0.04
     5   6    -0.01  -0.03  -0.01    -0.02   0.02   0.07    -0.01   0.04   0.02
     6   6    -0.04  -0.06  -0.01    -0.05  -0.05  -0.03    -0.06   0.07  -0.06
     7   8    -0.09   0.01   0.02    -0.05  -0.02  -0.05    -0.06  -0.05   0.01
     8   6    -0.06  -0.11   0.05     0.12  -0.04   0.01     0.07  -0.08  -0.10
     9   6     0.02   0.11   0.04    -0.05  -0.10  -0.02    -0.01   0.07   0.06
    10   6     0.09   0.08  -0.03     0.02   0.00   0.01    -0.05  -0.05   0.02
    11   6     0.01   0.01  -0.03     0.11   0.01  -0.05     0.03  -0.02  -0.02
    12   1     0.01   0.14   0.16    -0.06  -0.10   0.11    -0.05   0.29   0.19
    13   1    -0.10   0.11  -0.01    -0.15  -0.22  -0.04    -0.16  -0.05   0.02
    14   1     0.01   0.10   0.04    -0.25   0.18  -0.01     0.02  -0.14   0.11
    15   1     0.20   0.20  -0.18     0.16   0.11  -0.02    -0.11  -0.06  -0.06
    16   1     0.16  -0.14  -0.06     0.07  -0.13   0.00    -0.04  -0.07   0.02
    17   1     0.03  -0.05  -0.10     0.09   0.17  -0.04    -0.23  -0.06   0.15
    18   1     0.18  -0.01  -0.29    -0.07   0.03   0.21    -0.08   0.14  -0.14
    19   1    -0.07  -0.23  -0.10     0.14   0.24   0.03    -0.13   0.18  -0.22
    20   1    -0.22  -0.15   0.24     0.28  -0.08  -0.05    -0.10  -0.04  -0.03
    21   1    -0.08  -0.15   0.06     0.00   0.01   0.21     0.13  -0.16  -0.24
    22   1     0.00  -0.31  -0.10     0.27  -0.04   0.08     0.01  -0.12  -0.18
    23   1    -0.01  -0.32   0.15    -0.04  -0.03   0.18    -0.07   0.35  -0.09
    24   1    -0.02   0.17  -0.10     0.10   0.11   0.04     0.10  -0.20   0.13
    25   1     0.06  -0.00  -0.12     0.22  -0.02  -0.16     0.03  -0.03   0.08
    26   1    -0.01   0.04  -0.00     0.19   0.01  -0.11     0.13  -0.11  -0.17
    27   1     0.01   0.07  -0.01     0.15   0.12   0.13     0.06  -0.07   0.10
                     16                     17                     18
                      A                      A                      A
 Frequencies --    539.0465               559.2387               589.2759
 Red. masses --      2.8331                 3.8330                 2.6934
 Frc consts  --      0.4850                 0.7063                 0.5511
 IR Inten    --      8.7695                 7.8933                 2.1714
 RamAct Fr= 1--      3.9278                 0.6805                 2.6201
  Dep-P Fr= 1--      0.1492                 0.6889                 0.1243
  Dep-U Fr= 1--      0.2597                 0.8158                 0.2211
 Alpha2 Fr= 1--      0.0608                 0.0007                 0.0432
 Beta2  Fr= 1--      0.1700                 0.0925                 0.0966
 AlphaG Fr= 1--     -0.0140                -0.0061                -0.1742
 Gamma2 Fr= 1--      0.1155                -0.3699                -0.4370
 Delta2 Fr= 1--     -0.1136                 0.0195                 0.0443
 Raman1 Fr= 1--      15.711                  2.722                 10.480
 ROA1   Fr= 1--       7.453                -34.888                -40.535
 CID1   Fr= 1--       0.474                -12.817                 -3.868
 Raman2 Fr= 1--       2.040                  1.110                  1.159
 ROA2   Fr= 1--       3.681                 -9.034                -10.843
 CID2   Fr= 1--       1.804                 -8.136                 -9.358
 Raman3 Fr= 1--       4.080                  2.221                  2.317
 ROA3   Fr= 1--       7.453                -34.888                -40.535
 CID3   Fr= 1--       1.826                -15.711                -17.492
 RC180  Fr= 1--      -0.481                  0.632                 -0.558
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.02     0.04   0.08  -0.08     0.02   0.04  -0.04
     2   6    -0.01  -0.01  -0.04     0.02   0.06  -0.02    -0.08   0.04  -0.04
     3   6    -0.08   0.03   0.12    -0.11  -0.01   0.08     0.03  -0.02  -0.06
     4   6    -0.07   0.00   0.06    -0.17  -0.10  -0.08     0.08  -0.11   0.05
     5   6     0.09  -0.06  -0.15    -0.14  -0.08  -0.08     0.04  -0.06   0.07
     6   6     0.17   0.06  -0.06    -0.00   0.12   0.05    -0.06   0.24  -0.12
     7   8     0.01   0.07   0.18     0.21  -0.04  -0.12    -0.03  -0.08   0.05
     8   6     0.04  -0.02  -0.01     0.01  -0.01   0.01    -0.08   0.05   0.06
     9   6    -0.01  -0.02  -0.02     0.04   0.00   0.04     0.00  -0.04   0.01
    10   6    -0.02  -0.01  -0.00     0.03  -0.06   0.04     0.04   0.01   0.01
    11   6    -0.05  -0.04  -0.07     0.02   0.08   0.17    -0.01   0.01  -0.04
    12   1    -0.02   0.01   0.02     0.04   0.02   0.03     0.02  -0.15  -0.04
    13   1    -0.06  -0.06  -0.03     0.04  -0.05   0.05     0.06  -0.02   0.03
    14   1    -0.17   0.06   0.11    -0.04   0.04   0.06     0.02   0.00  -0.06
    15   1     0.10   0.09  -0.07     0.21   0.13  -0.12     0.02  -0.00   0.02
    16   1    -0.04  -0.20  -0.07     0.07  -0.35  -0.02     0.06   0.04   0.04
    17   1    -0.00   0.03  -0.01     0.02   0.05  -0.07     0.12   0.12  -0.14
    18   1    -0.01   0.01   0.01     0.04   0.10  -0.13     0.06  -0.01   0.00
    19   1     0.01   0.06  -0.04     0.02   0.07  -0.09     0.06  -0.03   0.04
    20   1     0.10  -0.05  -0.02    -0.02  -0.03   0.07    -0.05   0.02   0.07
    21   1    -0.01   0.01   0.08    -0.05  -0.02   0.09    -0.12   0.07   0.13
    22   1     0.10  -0.04   0.01     0.09  -0.09  -0.02    -0.03   0.01   0.05
    23   1    -0.31   0.02   0.02    -0.34  -0.04  -0.12     0.15  -0.01   0.02
    24   1     0.19  -0.10  -0.12    -0.33  -0.21  -0.03     0.11  -0.22   0.14
    25   1    -0.29   0.01   0.19     0.00   0.08   0.30    -0.08  -0.00   0.44
    26   1    -0.25  -0.06   0.07     0.08  -0.02   0.05     0.17  -0.33  -0.42
    27   1    -0.12  -0.29  -0.49     0.04   0.02   0.26     0.05  -0.26   0.11
                     19                     20                     21
                      A                      A                      A
 Frequencies --    630.2279               730.0886               803.3491
 Red. masses --      3.1721                 1.4722                 3.3678
 Frc consts  --      0.7423                 0.4624                 1.2806
 IR Inten    --      3.0810                 6.1136                 2.7011
 RamAct Fr= 1--      8.2480                 7.2189                17.7256
  Dep-P Fr= 1--      0.0387                 0.1323                 0.7113
  Dep-U Fr= 1--      0.0746                 0.2336                 0.8313
 Alpha2 Fr= 1--      0.1673                 0.1167                 0.0119
 Beta2  Fr= 1--      0.1025                 0.2811                 2.4559
 AlphaG Fr= 1--      0.2692                 0.2720                 0.1016
 Gamma2 Fr= 1--     -0.3815                 1.7779                 4.0942
 Delta2 Fr= 1--     -0.1229                 0.4840                -2.0460
 Raman1 Fr= 1--      32.992                 28.876                 70.902
 ROA1   Fr= 1--     -40.554                186.167                327.567
 CID1   Fr= 1--      -1.229                  6.447                  4.620
 Raman2 Fr= 1--       1.230                  3.373                 29.471
 ROA2   Fr= 1--      -8.171                 38.797                114.628
 CID2   Fr= 1--      -6.644                 11.501                  3.889
 Raman3 Fr= 1--       2.460                  6.747                 58.943
 ROA3   Fr= 1--     -40.554                186.167                327.567
 CID3   Fr= 1--     -16.487                 27.594                  5.557
 RC180  Fr= 1--      -0.851                 -0.533                  0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.17   0.17     0.02   0.04  -0.04    -0.02   0.00  -0.03
     2   6     0.03  -0.10   0.03     0.01   0.01   0.01    -0.07  -0.02  -0.05
     3   6     0.01   0.14   0.03     0.04  -0.05   0.07     0.09  -0.01   0.10
     4   6    -0.02  -0.06   0.00    -0.02  -0.01   0.01     0.09   0.01   0.04
     5   6    -0.02  -0.07  -0.01    -0.00   0.01  -0.03     0.18   0.00  -0.16
     6   6    -0.03   0.10  -0.03    -0.00  -0.01   0.00    -0.05  -0.06  -0.09
     7   8     0.03  -0.04  -0.02    -0.00  -0.00  -0.01    -0.10  -0.05  -0.07
     8   6     0.10  -0.06  -0.08    -0.04   0.03   0.04    -0.01  -0.01  -0.01
     9   6    -0.03   0.06  -0.10     0.01  -0.08  -0.08    -0.04   0.00   0.01
    10   6     0.03   0.19  -0.06     0.06   0.05  -0.05    -0.04   0.03  -0.01
    11   6    -0.00   0.04   0.04    -0.00   0.01   0.03    -0.04   0.09   0.26
    12   1    -0.05   0.11   0.13     0.00  -0.14   0.42    -0.03  -0.02  -0.19
    13   1    -0.22   0.08  -0.18    -0.41  -0.06  -0.26     0.14  -0.04   0.09
    14   1     0.01   0.21   0.01     0.04  -0.18   0.12     0.04  -0.02   0.11
    15   1     0.10   0.20   0.06    -0.04  -0.16   0.39    -0.06   0.08  -0.22
    16   1    -0.05   0.19  -0.12    -0.23   0.41  -0.15     0.07  -0.14   0.02
    17   1    -0.14  -0.20   0.24    -0.01  -0.00  -0.02     0.09   0.13  -0.09
    18   1    -0.11  -0.17   0.20     0.02   0.07  -0.10    -0.01  -0.09   0.13
    19   1    -0.09  -0.10   0.11    -0.00   0.04  -0.06     0.06   0.03   0.03
    20   1     0.18  -0.04  -0.18    -0.04   0.02   0.05     0.10  -0.04  -0.05
    21   1     0.18  -0.03  -0.17    -0.05   0.04   0.06    -0.06   0.06   0.09
    22   1    -0.00   0.07  -0.02    -0.03   0.03   0.05     0.03   0.01   0.02
    23   1    -0.10  -0.14   0.03    -0.10   0.03  -0.01    -0.08   0.11  -0.03
    24   1    -0.07  -0.06  -0.02     0.01  -0.04  -0.01     0.44  -0.09  -0.11
    25   1    -0.03   0.03   0.26     0.00   0.01  -0.01    -0.05   0.10   0.20
    26   1     0.07  -0.12  -0.13    -0.01   0.04   0.06    -0.07   0.14   0.32
    27   1     0.02  -0.08   0.13    -0.01   0.03   0.02    -0.04   0.16   0.30
                     22                     23                     24
                      A                      A                      A
 Frequencies --    843.1803               869.8129               893.1449
 Red. masses --      2.3417                 2.0686                 1.8118
 Frc consts  --      0.9809                 0.9221                 0.8515
 IR Inten    --      2.4536                 0.1970                 0.1808
 RamAct Fr= 1--     21.1642                10.3238                 7.5827
  Dep-P Fr= 1--      0.3380                 0.6450                 0.1177
  Dep-U Fr= 1--      0.5053                 0.7842                 0.2106
 Alpha2 Fr= 1--      0.1931                 0.0195                 0.1271
 Beta2  Fr= 1--      1.7823                 1.3493                 0.2661
 AlphaG Fr= 1--      1.2832                 0.1037                -0.1706
 Gamma2 Fr= 1--      7.1321                 0.0309                -2.9122
 Delta2 Fr= 1--      0.6503                -0.5153                -1.4014
 Raman1 Fr= 1--      84.657                 41.295                 30.331
 ROA1   Fr= 1--     705.488                -13.520               -324.414
 CID1   Fr= 1--       8.333                 -0.327                -10.696
 Raman2 Fr= 1--      21.387                 16.192                  3.194
 ROA2   Fr= 1--     165.967                  4.864                -58.681
 CID2   Fr= 1--       7.760                  0.300                -18.374
 Raman3 Fr= 1--      42.774                 32.383                  6.387
 ROA3   Fr= 1--     705.488                -13.520               -324.414
 CID3   Fr= 1--      16.493                 -0.418                -50.790
 RC180  Fr= 1--       0.011                  0.568                 -0.579
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.02    -0.05  -0.02  -0.01     0.02   0.02   0.01
     2   6    -0.11  -0.01  -0.08    -0.10   0.02  -0.05     0.02   0.05   0.06
     3   6     0.08  -0.10   0.11    -0.02  -0.05  -0.04    -0.03  -0.07  -0.07
     4   6     0.01  -0.11   0.00    -0.06   0.05   0.03    -0.07  -0.00   0.07
     5   6    -0.08   0.11  -0.00     0.00  -0.06   0.00    -0.02  -0.00  -0.02
     6   6     0.00   0.00   0.06     0.01  -0.00  -0.02     0.02  -0.01  -0.02
     7   8     0.03   0.02   0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.01
     8   6    -0.00  -0.02  -0.05     0.04  -0.04  -0.08     0.08  -0.01  -0.01
     9   6    -0.01   0.05   0.02     0.09   0.14   0.13    -0.09  -0.07   0.04
    10   6     0.03   0.14   0.01     0.07  -0.07  -0.03     0.06   0.12  -0.05
    11   6     0.01  -0.07  -0.07     0.01   0.03   0.02     0.02   0.01   0.03
    12   1     0.01  -0.03  -0.07     0.10   0.05   0.21    -0.03  -0.38  -0.29
    13   1     0.09   0.04   0.07    -0.02   0.35   0.04     0.29   0.05   0.17
    14   1     0.13  -0.18   0.13    -0.11  -0.18   0.00    -0.15  -0.31   0.00
    15   1     0.03   0.18  -0.13    -0.20  -0.32   0.20    -0.07   0.03  -0.03
    16   1     0.11  -0.00   0.01    -0.07   0.35   0.00     0.28   0.32   0.18
    17   1     0.12   0.18  -0.13     0.13   0.20  -0.14    -0.04  -0.08   0.03
    18   1    -0.02  -0.16   0.21    -0.01  -0.17   0.21     0.02   0.09  -0.12
    19   1     0.06   0.00   0.08     0.06  -0.04   0.13    -0.03  -0.04  -0.00
    20   1     0.18  -0.09  -0.09     0.15  -0.10  -0.06    -0.19   0.07   0.07
    21   1    -0.08   0.09   0.13    -0.04   0.02   0.08     0.13  -0.18  -0.20
    22   1     0.09  -0.02  -0.00     0.16  -0.09  -0.08     0.00  -0.09  -0.13
    23   1    -0.07   0.32  -0.18    -0.05  -0.17   0.12    -0.10   0.03   0.05
    24   1    -0.13  -0.42   0.22     0.02   0.18  -0.10     0.07  -0.04  -0.00
    25   1     0.07  -0.07  -0.31    -0.05   0.03   0.13    -0.06   0.03   0.06
    26   1     0.02   0.07   0.02    -0.02  -0.03  -0.00    -0.06   0.03   0.10
    27   1    -0.00   0.07  -0.08     0.00  -0.05  -0.03    -0.00  -0.03  -0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --    905.8905               946.6624               956.6373
 Red. masses --      2.0860                 2.2203                 1.5327
 Frc consts  --      1.0086                 1.1723                 0.8264
 IR Inten    --      6.0651                 1.6034                 0.4220
 RamAct Fr= 1--     29.6556                15.2378                 4.5005
  Dep-P Fr= 1--      0.2381                 0.7489                 0.5196
  Dep-U Fr= 1--      0.3847                 0.8564                 0.6839
 Alpha2 Fr= 1--      0.3633                 0.0003                 0.0202
 Beta2  Fr= 1--      1.9012                 2.1750                 0.5130
 AlphaG Fr= 1--     -1.1577                -0.0030                -0.0230
 Gamma2 Fr= 1--     -5.4636                 3.0253                 0.6290
 Delta2 Fr= 1--      0.8910                 1.5799                -0.3009
 Raman1 Fr= 1--     118.622                 60.951                 18.002
 ROA1   Fr= 1--    -495.991                340.984                 50.754
 CID1   Fr= 1--      -4.181                  5.594                  2.819
 Raman2 Fr= 1--      22.814                 26.100                  6.156
 ROA2   Fr= 1--    -138.253                 59.967                 17.504
 CID2   Fr= 1--      -6.060                  2.298                  2.843
 Raman3 Fr= 1--      45.629                 52.200                 12.312
 ROA3   Fr= 1--    -495.991                340.984                 50.754
 CID3   Fr= 1--     -10.870                  6.532                  4.122
 RC180  Fr= 1--      -0.231                  0.713                  0.368
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04  -0.05     0.03  -0.01  -0.02    -0.03   0.11  -0.01
     2   6    -0.04  -0.02   0.02     0.01  -0.07  -0.04    -0.06  -0.00   0.07
     3   6     0.10  -0.01   0.15    -0.01  -0.13  -0.01    -0.01   0.01   0.01
     4   6    -0.00   0.12  -0.09    -0.03   0.05  -0.00     0.01  -0.01  -0.01
     5   6     0.01  -0.11   0.06    -0.00  -0.04   0.02     0.01   0.01  -0.00
     6   6    -0.02   0.01   0.04     0.01  -0.01  -0.01    -0.00   0.00  -0.00
     7   8     0.02   0.01   0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   6     0.01  -0.03  -0.02    -0.07   0.00   0.03     0.06  -0.10  -0.01
     9   6    -0.05  -0.06   0.02    -0.08   0.10  -0.13    -0.05   0.02  -0.05
    10   6    -0.05   0.07  -0.05     0.12   0.02   0.14     0.02  -0.04   0.05
    11   6    -0.02   0.01  -0.06     0.02   0.02   0.01    -0.00  -0.00   0.00
    12   1    -0.02  -0.19  -0.14    -0.14   0.45  -0.27    -0.05   0.00  -0.05
    13   1     0.13  -0.08   0.10    -0.02  -0.02  -0.08    -0.05   0.15  -0.08
    14   1     0.20  -0.19   0.20    -0.03  -0.21   0.02     0.05   0.06  -0.00
    15   1    -0.13   0.06  -0.23     0.22   0.07   0.18     0.12  -0.01   0.14
    16   1     0.02  -0.04  -0.04     0.34   0.07   0.32    -0.03  -0.05   0.01
    17   1     0.04   0.08  -0.07    -0.07  -0.04   0.10     0.18   0.09  -0.33
    18   1     0.02   0.02  -0.01    -0.06   0.01   0.02     0.23   0.12  -0.28
    19   1     0.03   0.05  -0.03     0.02   0.15  -0.15    -0.07  -0.36   0.25
    20   1     0.10  -0.04  -0.07     0.10  -0.02  -0.06     0.19  -0.00  -0.27
    21   1     0.01   0.03   0.01    -0.09   0.11   0.11     0.26  -0.01  -0.27
    22   1     0.01   0.03   0.03    -0.08   0.11   0.13    -0.23   0.21   0.15
    23   1    -0.01  -0.32   0.10     0.01  -0.07   0.06     0.03  -0.01  -0.00
    24   1    -0.24   0.51  -0.22    -0.00   0.21  -0.09     0.03  -0.07   0.03
    25   1     0.05  -0.02   0.07    -0.05   0.03   0.10     0.01  -0.01  -0.02
    26   1     0.09  -0.13  -0.25    -0.03  -0.02   0.01     0.01   0.01   0.00
    27   1     0.02  -0.05   0.10     0.01  -0.05  -0.06    -0.00   0.01   0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    975.8792               986.2528              1015.0798
 Red. masses --      1.8440                 1.6079                 1.5076
 Frc consts  --      1.0347                 0.9215                 0.9152
 IR Inten    --      6.2109                 7.4693                15.8205
 RamAct Fr= 1--     10.7613                29.6048                25.2737
  Dep-P Fr= 1--      0.4888                 0.1495                 0.3696
  Dep-U Fr= 1--      0.6566                 0.2600                 0.5397
 Alpha2 Fr= 1--      0.0559                 0.4583                 0.2080
 Beta2  Fr= 1--      1.1777                 1.2831                 2.2733
 AlphaG Fr= 1--      0.0657                 0.0485                -0.0550
 Gamma2 Fr= 1--     -4.4136                 1.8817                -1.2329
 Delta2 Fr= 1--     -5.1062                 0.5465                -0.6006
 Raman1 Fr= 1--      43.045                118.419                101.095
 ROA1   Fr= 1--    -587.103                198.128               -137.574
 CID1   Fr= 1--     -13.639                  1.673                 -1.361
 Raman2 Fr= 1--      14.132                 15.397                 27.280
 ROA2   Fr= 1--     -65.077                 40.788                -24.784
 CID2   Fr= 1--      -4.605                  2.649                 -0.909
 Raman3 Fr= 1--      28.264                 30.794                 54.560
 ROA3   Fr= 1--    -587.103                198.128               -137.574
 CID3   Fr= 1--     -20.772                  6.434                 -2.522
 RC180  Fr= 1--       0.313                 -0.480                  0.079
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.00   0.11    -0.00  -0.03  -0.04     0.03   0.01   0.04
     2   6    -0.04   0.14  -0.01    -0.02   0.01   0.02     0.01  -0.00  -0.01
     3   6    -0.06  -0.08   0.02     0.02   0.05   0.06    -0.03   0.01  -0.04
     4   6     0.05   0.02  -0.05     0.02  -0.01  -0.01    -0.01   0.00   0.03
     5   6     0.03  -0.01   0.02     0.03   0.00  -0.03     0.07  -0.01  -0.08
     6   6     0.00  -0.01  -0.01    -0.02   0.01   0.03    -0.01   0.02   0.04
     7   8    -0.01  -0.00  -0.00     0.02   0.01   0.02     0.04   0.03   0.04
     8   6     0.04   0.04  -0.11     0.06   0.05  -0.01    -0.04  -0.02  -0.01
     9   6    -0.00  -0.03  -0.06    -0.12   0.01  -0.05     0.02   0.01   0.03
    10   6    -0.00   0.01   0.07     0.05  -0.10   0.03     0.02   0.00  -0.02
    11   6    -0.01   0.01   0.01    -0.05  -0.02  -0.02    -0.12  -0.03  -0.02
    12   1    -0.00  -0.06   0.07    -0.09  -0.17  -0.25     0.00   0.11  -0.00
    13   1    -0.09  -0.11  -0.08     0.03   0.44  -0.09     0.04  -0.13   0.07
    14   1     0.06  -0.18   0.05     0.03   0.16   0.03    -0.19  -0.08  -0.00
    15   1     0.21   0.14   0.11     0.11  -0.14   0.27    -0.13  -0.09  -0.06
    16   1    -0.05  -0.19  -0.02    -0.06   0.02  -0.01     0.14   0.16   0.12
    17   1    -0.06  -0.19   0.03     0.01   0.11   0.02    -0.08  -0.16   0.08
    18   1     0.08   0.11  -0.21    -0.08  -0.10   0.18     0.03   0.13  -0.17
    19   1    -0.16  -0.31   0.17     0.09   0.17  -0.07    -0.08  -0.06  -0.03
    20   1     0.03  -0.10   0.12    -0.28   0.07   0.22     0.17  -0.07  -0.11
    21   1    -0.20   0.02   0.24     0.01  -0.18  -0.07    -0.06   0.11   0.10
    22   1     0.41  -0.28  -0.24     0.12  -0.21  -0.22     0.00   0.07   0.09
    23   1     0.18  -0.01  -0.03    -0.07  -0.03  -0.01    -0.12  -0.10   0.06
    24   1     0.04   0.11  -0.03    -0.02  -0.08   0.00     0.09  -0.15  -0.02
    25   1     0.01  -0.00   0.02     0.12  -0.06  -0.14     0.24  -0.12  -0.25
    26   1     0.01  -0.01  -0.02     0.11  -0.01  -0.14     0.22  -0.02  -0.29
    27   1    -0.00   0.01   0.05    -0.01   0.10   0.22    -0.02   0.21   0.49
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1023.2936              1036.8441              1048.1019
 Red. masses --      1.1644                 1.6630                 1.6073
 Frc consts  --      0.7184                 1.0533                 1.0403
 IR Inten    --     29.7306                 3.2904                 6.8977
 RamAct Fr= 1--      1.6705                 8.1355                51.8199
  Dep-P Fr= 1--      0.6055                 0.4581                 0.2149
  Dep-U Fr= 1--      0.7543                 0.6284                 0.3538
 Alpha2 Fr= 1--      0.0045                 0.0483                 0.6763
 Beta2  Fr= 1--      0.2100                 0.8520                 3.0555
 AlphaG Fr= 1--     -0.2070                 0.3775                -0.1542
 Gamma2 Fr= 1--     -0.2365                 4.3855                -3.6859
 Delta2 Fr= 1--     -0.1213                 0.4002                 3.1884
 Raman1 Fr= 1--       6.682                 32.542                207.280
 ROA1   Fr= 1--     -26.590                433.820               -251.818
 CID1   Fr= 1--      -3.979                 13.331                 -1.215
 Raman2 Fr= 1--       2.520                 10.224                 36.666
 ROA2   Fr= 1--      -4.706                102.051               -113.969
 CID2   Fr= 1--      -1.867                  9.981                 -3.108
 Raman3 Fr= 1--       5.040                 20.448                 73.332
 ROA3   Fr= 1--     -26.590                433.820               -251.818
 CID3   Fr= 1--      -5.276                 21.216                 -3.434
 RC180  Fr= 1--       0.509                  0.257                 -0.292
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.00     0.06   0.03   0.04     0.09   0.01  -0.05
     2   6     0.00   0.00  -0.00    -0.02  -0.00   0.02    -0.04  -0.05   0.06
     3   6    -0.03  -0.00  -0.02     0.07   0.11   0.03    -0.12  -0.03  -0.01
     4   6     0.01  -0.07   0.03     0.00  -0.06   0.03     0.06  -0.01  -0.05
     5   6     0.03  -0.05   0.01    -0.04  -0.00   0.02     0.03   0.01   0.02
     6   6    -0.01   0.03  -0.01    -0.01   0.03  -0.01     0.00   0.01  -0.02
     7   8     0.01  -0.00   0.01    -0.01  -0.01  -0.01    -0.01  -0.01   0.00
     8   6     0.01  -0.00   0.02    -0.05  -0.02  -0.07    -0.02  -0.05  -0.03
     9   6     0.02   0.00   0.00    -0.07  -0.00   0.01    -0.01   0.03   0.07
    10   6    -0.00   0.01   0.01     0.03  -0.09  -0.04    -0.01   0.06   0.01
    11   6    -0.02  -0.02   0.01     0.05  -0.01   0.01    -0.01  -0.01   0.01
    12   1     0.02   0.01   0.04    -0.06  -0.04  -0.18     0.05  -0.32   0.07
    13   1    -0.02  -0.01  -0.01     0.07   0.12   0.03     0.05   0.43   0.01
    14   1    -0.06  -0.07  -0.00     0.11   0.11   0.03    -0.03  -0.04  -0.01
    15   1     0.06   0.05   0.03    -0.21  -0.27  -0.02     0.22   0.18   0.14
    16   1    -0.01  -0.01  -0.01     0.10   0.17   0.10    -0.24  -0.10  -0.21
    17   1     0.05   0.05  -0.05    -0.13  -0.23   0.15    -0.14  -0.11   0.21
    18   1     0.01  -0.04   0.05     0.02   0.21  -0.25    -0.11   0.11  -0.04
    19   1     0.02  -0.01   0.03    -0.10  -0.02  -0.10     0.03   0.29  -0.29
    20   1    -0.05   0.04   0.01     0.27  -0.16  -0.09     0.21  -0.09  -0.14
    21   1     0.06  -0.04  -0.07    -0.19   0.18   0.26    -0.01   0.08   0.05
    22   1    -0.06   0.02   0.00     0.18  -0.02   0.04    -0.02   0.08   0.10
    23   1    -0.11   0.62  -0.27    -0.13   0.23  -0.10     0.22  -0.01  -0.04
    24   1    -0.08   0.58  -0.27    -0.12   0.11  -0.03     0.07   0.01   0.02
    25   1     0.05  -0.04  -0.13    -0.08   0.03  -0.01     0.01  -0.01  -0.05
    26   1     0.04   0.04   0.00    -0.09   0.05   0.16    -0.00   0.04   0.05
    27   1    -0.01   0.09   0.09     0.00  -0.04  -0.21    -0.01   0.04   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1051.0773              1155.3002              1195.1245
 Red. masses --      1.8581                 1.6878                 1.9370
 Frc consts  --      1.2095                 1.3273                 1.6301
 IR Inten    --      0.5821                12.3866                 3.0523
 RamAct Fr= 1--      2.2689                88.9914                13.1558
  Dep-P Fr= 1--      0.5466                 0.3633                 0.4592
  Dep-U Fr= 1--      0.7068                 0.5330                 0.6293
 Alpha2 Fr= 1--      0.0088                 0.7479                 0.0777
 Beta2  Fr= 1--      0.2673                 7.9054                 1.3799
 AlphaG Fr= 1--     -0.0145                -0.0875                -0.0935
 Gamma2 Fr= 1--     -0.6520                -6.8224                 1.1208
 Delta2 Fr= 1--     -0.1017                -0.9612                 1.7702
 Raman1 Fr= 1--       9.075                355.966                 52.623
 ROA1   Fr= 1--     -65.848               -685.712                164.239
 CID1   Fr= 1--      -7.256                 -1.926                  3.121
 Raman2 Fr= 1--       3.207                 94.865                 16.559
 ROA2   Fr= 1--     -14.834               -156.049                 12.737
 CID2   Fr= 1--      -4.625                 -1.645                  0.769
 Raman3 Fr= 1--       6.415                189.731                 33.118
 ROA3   Fr= 1--     -65.848               -685.712                164.239
 CID3   Fr= 1--     -10.265                 -3.614                  4.959
 RC180  Fr= 1--       0.414                  0.066                  0.259
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.04   0.01   0.06    -0.04  -0.01  -0.04
     2   6     0.01   0.00  -0.01    -0.05  -0.02  -0.11     0.09   0.03   0.10
     3   6     0.01  -0.01   0.00     0.10  -0.12  -0.01     0.09  -0.02  -0.10
     4   6    -0.02   0.05  -0.02    -0.06   0.03   0.04    -0.13   0.01   0.08
     5   6     0.01  -0.07   0.03    -0.01  -0.02  -0.01    -0.05  -0.01  -0.01
     6   6    -0.04   0.19  -0.08     0.00  -0.01   0.00     0.04  -0.01  -0.03
     7   8     0.01  -0.03   0.02     0.01   0.01   0.01     0.03   0.01   0.02
     8   6     0.00   0.01   0.01     0.01   0.01   0.03    -0.05  -0.01  -0.06
     9   6     0.01  -0.00  -0.01     0.00   0.06  -0.01    -0.01  -0.03  -0.02
    10   6    -0.00   0.00   0.00     0.01   0.02   0.06    -0.07   0.00   0.00
    11   6     0.03  -0.14   0.06    -0.01   0.00  -0.00    -0.03  -0.00   0.01
    12   1    -0.00   0.04   0.01     0.07  -0.41   0.13     0.01  -0.13   0.04
    13   1    -0.01  -0.06  -0.00    -0.03   0.15  -0.05    -0.03   0.18  -0.07
    14   1     0.00   0.01  -0.01     0.02   0.60  -0.25     0.59   0.05  -0.14
    15   1    -0.02   0.00  -0.02    -0.13  -0.00  -0.19     0.22   0.18   0.07
    16   1     0.02  -0.01   0.01    -0.12  -0.14  -0.10     0.02  -0.10   0.03
    17   1     0.02   0.03  -0.02    -0.09  -0.22   0.09     0.07   0.16  -0.07
    18   1     0.01  -0.02   0.02     0.01   0.15  -0.18     0.01  -0.12   0.12
    19   1     0.00  -0.02   0.03    -0.12  -0.09  -0.04     0.10   0.05   0.06
    20   1    -0.04   0.02   0.02    -0.11   0.07   0.01     0.19  -0.13  -0.04
    21   1     0.01  -0.02  -0.02     0.05  -0.05  -0.07    -0.13   0.16   0.17
    22   1    -0.01  -0.01  -0.01    -0.10   0.01  -0.02     0.15   0.02   0.07
    23   1     0.04  -0.31   0.14    -0.11   0.03   0.04    -0.00   0.04   0.08
    24   1     0.00  -0.01   0.00     0.04   0.09  -0.05     0.35   0.07  -0.01
    25   1     0.02  -0.09  -0.58     0.01  -0.00  -0.00     0.06  -0.03  -0.02
    26   1    -0.07   0.35   0.47     0.01  -0.01  -0.03     0.05   0.02  -0.04
    27   1    -0.05   0.29  -0.12     0.00   0.00   0.03    -0.01   0.06   0.14
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1204.7934              1227.6541              1242.1751
 Red. masses --      1.6792                 1.4227                 1.8297
 Frc consts  --      1.4361                 1.2633                 1.6634
 IR Inten    --      5.4146                 2.7977                 5.1363
 RamAct Fr= 1--     25.6915                54.1672                19.4731
  Dep-P Fr= 1--      0.2945                 0.4302                 0.3251
  Dep-U Fr= 1--      0.4549                 0.6016                 0.4907
 Alpha2 Fr= 1--      0.2679                 0.3589                 0.1850
 Beta2  Fr= 1--      1.9480                 5.4310                 1.5925
 AlphaG Fr= 1--      0.4158                 0.1421                 0.1543
 Gamma2 Fr= 1--      6.3474                 1.0415                 2.6481
 Delta2 Fr= 1--     -0.5096                 1.0591                 1.1434
 Raman1 Fr= 1--     102.766                216.669                 77.892
 ROA1   Fr= 1--     593.041                133.872                290.809
 CID1   Fr= 1--       5.771                  0.618                  3.733
 Raman2 Fr= 1--      23.376                 65.172                 19.110
 ROA2   Fr= 1--     156.413                 16.522                 54.408
 CID2   Fr= 1--       6.691                  0.254                  2.847
 Raman3 Fr= 1--      46.753                130.345                 38.219
 ROA3   Fr= 1--     593.041                133.872                290.809
 CID3   Fr= 1--      12.685                  1.027                  7.609
 RC180  Fr= 1--      -0.090                  0.203                 -0.019
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.04   0.01     0.04   0.02   0.04    -0.00  -0.06   0.02
     2   6     0.15  -0.06   0.00    -0.08  -0.03  -0.08     0.05   0.18  -0.08
     3   6    -0.00  -0.08   0.03     0.04   0.01  -0.01     0.04   0.00   0.00
     4   6     0.03   0.02  -0.02    -0.05  -0.00   0.02     0.01   0.02   0.01
     5   6     0.01  -0.01  -0.00    -0.02  -0.00   0.00     0.02  -0.00  -0.01
     6   6    -0.00  -0.00   0.01     0.01  -0.00  -0.01    -0.03   0.01   0.03
     7   8    -0.01  -0.00  -0.01     0.01   0.01   0.01    -0.00  -0.00  -0.01
     8   6    -0.06   0.03  -0.03     0.03   0.02   0.03    -0.03  -0.07   0.03
     9   6    -0.05  -0.02   0.07    -0.01  -0.04   0.09    -0.06   0.08   0.01
    10   6     0.02   0.03  -0.07     0.01  -0.00  -0.06    -0.02  -0.07  -0.04
    11   6     0.01   0.00  -0.00    -0.01  -0.00   0.00     0.02   0.00  -0.01
    12   1    -0.06   0.10  -0.18    -0.08   0.51  -0.22     0.01  -0.40  -0.05
    13   1     0.15   0.09   0.13     0.10  -0.06   0.14     0.10  -0.39   0.18
    14   1    -0.40   0.46  -0.14     0.33  -0.11   0.02    -0.03  -0.10   0.04
    15   1     0.20   0.07   0.25     0.31   0.09   0.31     0.33   0.04   0.38
    16   1    -0.13   0.09  -0.17    -0.26   0.00  -0.26    -0.09  -0.02  -0.07
    17   1     0.11   0.08  -0.20    -0.05  -0.14   0.05    -0.07  -0.04   0.14
    18   1     0.14  -0.05  -0.04    -0.01   0.12  -0.12    -0.10  -0.09   0.16
    19   1     0.00  -0.16   0.19    -0.10  -0.06  -0.06     0.02   0.01   0.00
    20   1     0.04  -0.07   0.07    -0.12   0.07   0.04     0.11   0.02  -0.21
    21   1    -0.18   0.11   0.21     0.04  -0.08  -0.07     0.13   0.12  -0.09
    22   1     0.10   0.00   0.03    -0.07  -0.03  -0.06    -0.15   0.15   0.17
    23   1    -0.06   0.00  -0.02     0.07   0.01   0.02    -0.13  -0.03   0.02
    24   1    -0.19   0.00  -0.02     0.20   0.04   0.00    -0.14  -0.03  -0.02
    25   1    -0.01   0.01   0.01     0.01  -0.01  -0.01    -0.03   0.01  -0.01
    26   1    -0.01  -0.01   0.00     0.01   0.00  -0.01    -0.02  -0.02   0.00
    27   1     0.00  -0.01  -0.02    -0.00   0.01   0.02     0.00  -0.03  -0.06
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1251.8670              1271.0663              1280.9407
 Red. masses --      1.5291                 1.6941                 1.8649
 Frc consts  --      1.4119                 1.6126                 1.8028
 IR Inten    --     16.9308                93.1773                38.4718
 RamAct Fr= 1--     27.4158                54.6491                 2.0596
  Dep-P Fr= 1--      0.3743                 0.2528                 0.6151
  Dep-U Fr= 1--      0.5447                 0.4035                 0.7617
 Alpha2 Fr= 1--      0.2221                 0.6427                 0.0051
 Beta2  Fr= 1--      2.4891                 3.6756                 0.2615
 AlphaG Fr= 1--      0.0370                -0.0407                -0.0184
 Gamma2 Fr= 1--      1.9460                 0.9318                 0.4265
 Delta2 Fr= 1--     -0.4118                 0.4903                 0.3599
 Raman1 Fr= 1--     109.663                218.596                  8.238
 ROA1   Fr= 1--     173.642                105.141                 52.456
 CID1   Fr= 1--       1.583                  0.481                  6.367
 Raman2 Fr= 1--      29.869                 44.107                  3.138
 ROA2   Fr= 1--      50.000                 18.441                  7.356
 CID2   Fr= 1--       1.674                  0.418                  2.344
 Raman3 Fr= 1--      59.738                 88.214                  6.275
 ROA3   Fr= 1--     173.642                105.141                 52.456
 CID3   Fr= 1--       2.907                  1.192                  8.359
 RC180  Fr= 1--       0.089                 -0.193                  0.523
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02     0.01  -0.00  -0.01    -0.03   0.01   0.01
     2   6    -0.02  -0.03  -0.03    -0.04   0.01   0.03     0.08  -0.02  -0.03
     3   6     0.09   0.01  -0.06    -0.04  -0.04   0.05     0.00   0.04  -0.07
     4   6     0.02   0.03   0.05    -0.01  -0.02  -0.04    -0.01   0.01   0.02
     5   6     0.05  -0.00  -0.03     0.03  -0.01  -0.04     0.04  -0.02  -0.06
     6   6    -0.04   0.01   0.05    -0.13   0.04   0.14    -0.12   0.04   0.14
     7   8    -0.01  -0.01  -0.02     0.03  -0.00  -0.02     0.02  -0.01  -0.02
     8   6    -0.00   0.01   0.00     0.01   0.00  -0.01    -0.03   0.00   0.00
     9   6     0.05  -0.04   0.02     0.03   0.01  -0.00    -0.04  -0.02   0.00
    10   6    -0.12  -0.01   0.00    -0.05  -0.01  -0.07     0.08   0.03   0.10
    11   6     0.03   0.00  -0.01     0.04   0.00  -0.01     0.05   0.00  -0.02
    12   1     0.04   0.04   0.09     0.03   0.03   0.06    -0.03  -0.04  -0.08
    13   1    -0.12   0.47  -0.17    -0.02  -0.07  -0.01     0.03   0.14  -0.00
    14   1    -0.22  -0.27   0.04     0.02   0.35  -0.08     0.01  -0.39   0.07
    15   1     0.31   0.25   0.14     0.12   0.05   0.13    -0.23  -0.08  -0.23
    16   1     0.21  -0.07   0.23     0.34   0.19   0.28    -0.43  -0.22  -0.36
    17   1    -0.01  -0.06   0.00    -0.00   0.03   0.02     0.02  -0.01  -0.06
    18   1     0.02   0.06  -0.08    -0.03   0.01  -0.00     0.06  -0.04   0.01
    19   1    -0.04  -0.03  -0.02     0.01   0.04  -0.03     0.00  -0.07   0.08
    20   1    -0.03   0.01   0.02    -0.00   0.00   0.00     0.02  -0.02   0.01
    21   1    -0.02  -0.01   0.01     0.01  -0.03  -0.02    -0.04   0.05   0.05
    22   1    -0.01  -0.01  -0.02     0.01  -0.02  -0.03     0.01   0.03   0.04
    23   1    -0.32  -0.07   0.05     0.15   0.03  -0.05    -0.12  -0.03   0.03
    24   1    -0.34  -0.09  -0.03     0.61   0.11  -0.05     0.30   0.01  -0.05
    25   1    -0.04   0.02  -0.01    -0.05   0.03  -0.11    -0.06   0.03  -0.11
    26   1    -0.04  -0.03   0.01    -0.03  -0.11  -0.05    -0.03  -0.12  -0.05
    27   1     0.01  -0.04  -0.09    -0.01  -0.13  -0.28    -0.00  -0.11  -0.26
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1289.9519              1303.8882              1337.3784
 Red. masses --      2.0363                 1.9694                 1.3621
 Frc consts  --      1.9964                 1.9727                 1.4354
 IR Inten    --      7.9247                11.5479                 0.5005
 RamAct Fr= 1--      9.4864                 2.1429                37.0053
  Dep-P Fr= 1--      0.5231                 0.3229                 0.2543
  Dep-U Fr= 1--      0.6868                 0.4881                 0.4055
 Alpha2 Fr= 1--      0.0419                 0.0205                 0.4333
 Beta2  Fr= 1--      1.0860                 0.1743                 2.5011
 AlphaG Fr= 1--     -0.1140                -0.0108                 0.0069
 Gamma2 Fr= 1--     -5.5061                 0.3860                 0.5939
 Delta2 Fr= 1--     -6.6732                -0.2880                 0.1082
 Raman1 Fr= 1--      37.946                  8.571                148.021
 ROA1   Fr= 1--    -742.124                 27.842                 60.478
 CID1   Fr= 1--     -19.557                  3.248                  0.409
 Raman2 Fr= 1--      13.031                  2.092                 30.013
 ROA2   Fr= 1--     -78.760                 11.569                 13.388
 CID2   Fr= 1--      -6.044                  5.530                  0.446
 Raman3 Fr= 1--      26.063                  4.184                 60.027
 ROA3   Fr= 1--    -742.124                 27.842                 60.478
 CID3   Fr= 1--     -28.474                  6.655                  1.008
 RC180  Fr= 1--       0.374                 -0.024                 -0.189
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07  -0.02    -0.03  -0.01   0.04    -0.00   0.01  -0.00
     2   6    -0.06   0.20   0.07     0.11   0.08  -0.18     0.01  -0.00  -0.02
     3   6     0.01  -0.07  -0.01    -0.03   0.02   0.08    -0.03   0.00   0.02
     4   6     0.02   0.02   0.02    -0.02  -0.02  -0.07    -0.01   0.04   0.10
     5   6     0.03  -0.00  -0.01    -0.06   0.00   0.04     0.00  -0.05  -0.12
     6   6    -0.01   0.00   0.02     0.04  -0.01  -0.04    -0.02   0.01   0.03
     7   8    -0.01  -0.00  -0.01     0.01   0.01   0.01     0.00  -0.00  -0.01
     8   6     0.01  -0.07  -0.01    -0.02  -0.04   0.04    -0.00  -0.00   0.00
     9   6     0.01  -0.16   0.01    -0.01  -0.08   0.04    -0.00  -0.00   0.00
    10   6     0.04   0.04   0.02    -0.02  -0.01  -0.00     0.00  -0.00  -0.01
    11   6     0.01   0.00  -0.00    -0.02  -0.00   0.01     0.00   0.01   0.01
    12   1    -0.10   0.56  -0.16    -0.01  -0.02  -0.08    -0.00  -0.01   0.02
    13   1    -0.07   0.22  -0.11    -0.09   0.62  -0.17     0.02   0.06  -0.00
    14   1    -0.11   0.36  -0.15    -0.02  -0.11   0.12     0.23   0.04   0.01
    15   1    -0.19  -0.08  -0.12    -0.10  -0.05  -0.06    -0.02  -0.01  -0.04
    16   1    -0.10  -0.08  -0.12     0.21   0.05   0.18     0.04   0.05   0.04
    17   1    -0.04   0.11   0.16    -0.04  -0.11   0.02    -0.03  -0.02   0.02
    18   1    -0.16  -0.02   0.09     0.04  -0.06   0.06    -0.00  -0.01   0.03
    19   1     0.08   0.16  -0.09    -0.04  -0.14   0.11    -0.00  -0.05   0.03
    20   1     0.09  -0.01  -0.16    -0.06   0.08  -0.09    -0.02   0.01   0.01
    21   1     0.10   0.10  -0.06     0.05   0.12   0.02    -0.00   0.01   0.01
    22   1    -0.02   0.06   0.08    -0.17   0.14   0.13    -0.02   0.01   0.01
    23   1    -0.14   0.01   0.01     0.25   0.00  -0.06     0.76   0.19   0.12
    24   1    -0.20  -0.01  -0.03     0.34   0.08   0.04    -0.46  -0.14  -0.12
    25   1    -0.02   0.01  -0.00     0.04  -0.02   0.03     0.01   0.00  -0.07
    26   1    -0.01  -0.02   0.00     0.03   0.04   0.00     0.02  -0.05  -0.04
    27   1     0.00  -0.01  -0.03    -0.01   0.03   0.07    -0.02  -0.05  -0.10
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1377.7826              1389.0310              1405.6719
 Red. masses --      1.4893                 1.3438                 1.2754
 Frc consts  --      1.6657                 1.5276                 1.4848
 IR Inten    --     11.2261                36.5652                 8.8928
 RamAct Fr= 1--      3.5181                 0.6999                 1.4408
  Dep-P Fr= 1--      0.1698                 0.4642                 0.4376
  Dep-U Fr= 1--      0.2904                 0.6341                 0.6088
 Alpha2 Fr= 1--      0.0517                 0.0040                 0.0093
 Beta2  Fr= 1--      0.1702                 0.0740                 0.1462
 AlphaG Fr= 1--      0.0119                -0.0001                -0.0164
 Gamma2 Fr= 1--     -0.1642                -0.1772                -0.4476
 Delta2 Fr= 1--      0.4315                 0.1250                -0.0526
 Raman1 Fr= 1--      14.072                  2.800                  5.763
 ROA1   Fr= 1--      -1.961                -13.009                -44.653
 CID1   Fr= 1--      -0.139                 -4.646                 -7.748
 Raman2 Fr= 1--       2.043                  0.888                  1.754
 ROA2   Fr= 1--      -7.394                 -5.253                -10.322
 CID2   Fr= 1--      -3.619                 -5.918                 -5.884
 Raman3 Fr= 1--       4.086                  1.775                  3.509
 ROA3   Fr= 1--      -1.961                -13.009                -44.653
 CID3   Fr= 1--      -0.480                 -7.328                -12.726
 RC180  Fr= 1--      -0.419                  0.268                  0.218
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.00     0.00  -0.00  -0.00    -0.03  -0.06   0.07
     2   6     0.03  -0.02  -0.05    -0.00   0.00   0.01     0.02   0.01  -0.03
     3   6    -0.14  -0.03   0.00     0.03   0.01  -0.00    -0.02  -0.00   0.01
     4   6     0.03   0.01   0.01    -0.01   0.00   0.01     0.00   0.00   0.00
     5   6     0.10   0.03   0.02    -0.01  -0.02  -0.04     0.00  -0.00  -0.00
     6   6    -0.02   0.01   0.03    -0.04   0.01   0.05     0.00  -0.00  -0.00
     7   8    -0.02  -0.01  -0.01     0.01   0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.01    -0.00   0.00  -0.00    -0.08   0.04   0.07
     9   6     0.00  -0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.01
    10   6     0.01   0.00  -0.02    -0.00  -0.00   0.01     0.00   0.00  -0.00
    11   6     0.02  -0.01  -0.04     0.03  -0.06  -0.14     0.00   0.00   0.00
    12   1     0.01  -0.01   0.01    -0.00   0.00   0.00    -0.00  -0.02  -0.02
    13   1     0.02   0.08   0.00    -0.00  -0.01   0.00    -0.00   0.05  -0.01
    14   1     0.75   0.11  -0.06    -0.15  -0.02   0.01     0.07  -0.01   0.01
    15   1    -0.05  -0.03  -0.06     0.01   0.01   0.01    -0.02  -0.02   0.02
    16   1     0.09   0.12   0.07    -0.02  -0.02  -0.02     0.02  -0.01   0.01
    17   1    -0.03  -0.07  -0.02     0.01   0.02   0.00     0.25   0.22  -0.18
    18   1     0.05  -0.05   0.05    -0.02   0.01  -0.01     0.04   0.15  -0.36
    19   1    -0.01  -0.07   0.06    -0.00   0.01  -0.01     0.00   0.31  -0.15
    20   1    -0.04   0.01   0.02     0.01  -0.01  -0.00     0.39  -0.05  -0.18
    21   1     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.17  -0.13  -0.38
    22   1    -0.02   0.02   0.02     0.01  -0.01  -0.00     0.25  -0.31  -0.13
    23   1    -0.42  -0.07  -0.01     0.19   0.04   0.02     0.02  -0.00   0.01
    24   1    -0.24  -0.03   0.03     0.10   0.00  -0.04    -0.02  -0.01  -0.00
    25   1    -0.08   0.01   0.13    -0.11  -0.04   0.57    -0.00   0.00  -0.01
    26   1    -0.09   0.06   0.11    -0.19   0.39   0.38    -0.00  -0.01  -0.00
    27   1     0.05   0.06   0.11     0.12   0.20   0.41     0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.8678              1471.5776              1480.1373
 Red. masses --      1.2269                 1.0569                 1.0473
 Frc consts  --      1.4635                 1.3485                 1.3518
 IR Inten    --      3.3028                 9.8168                 9.7577
 RamAct Fr= 1--      1.2335                 2.9942                 4.4306
  Dep-P Fr= 1--      0.6910                 0.7429                 0.7500
  Dep-U Fr= 1--      0.8173                 0.8525                 0.8571
 Alpha2 Fr= 1--      0.0013                 0.0004                 0.0000
 Beta2  Fr= 1--      0.1680                 0.4254                 0.6329
 AlphaG Fr= 1--     -0.0030                -0.0022                 0.0007
 Gamma2 Fr= 1--     -0.0231                -0.3593                 1.6827
 Delta2 Fr= 1--     -0.0485                -0.2383                 1.2567
 Raman1 Fr= 1--       4.934                 11.977                 17.722
 ROA1   Fr= 1--      -3.771                -42.114                201.754
 CID1   Fr= 1--      -0.764                 -3.516                 11.384
 Raman2 Fr= 1--       2.016                  5.105                  7.595
 ROA2   Fr= 1--      -0.167                 -6.716                 30.332
 CID2   Fr= 1--      -0.083                 -1.316                  3.994
 Raman3 Fr= 1--       4.033                 10.210                 15.190
 ROA3   Fr= 1--      -3.771                -42.114                201.754
 CID3   Fr= 1--      -0.935                 -4.125                 13.282
 RC180  Fr= 1--       0.635                  0.705                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.07  -0.07     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00   0.01   0.02     0.00  -0.02   0.01
     7   8     0.00   0.00   0.00    -0.02  -0.01  -0.02    -0.00   0.00  -0.00
     8   6    -0.06   0.04   0.05    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   6     0.01  -0.01   0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.00  -0.00   0.00    -0.05  -0.01   0.01     0.01  -0.05   0.02
    12   1    -0.00   0.02  -0.06    -0.00   0.00   0.01    -0.00   0.00   0.01
    13   1    -0.06   0.01  -0.03     0.01   0.00   0.00     0.01   0.00   0.00
    14   1    -0.06   0.02  -0.01     0.03   0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.02  -0.01   0.02     0.01   0.01  -0.02    -0.01  -0.01   0.02
    16   1     0.01  -0.03  -0.00    -0.01   0.02  -0.00     0.01  -0.02  -0.00
    17   1    -0.28  -0.29   0.17     0.00   0.01   0.00    -0.03   0.00   0.03
    18   1     0.00  -0.19   0.40    -0.01   0.01  -0.01     0.04  -0.01  -0.03
    19   1    -0.01  -0.34   0.17    -0.00  -0.01   0.00     0.05   0.02   0.04
    20   1     0.36  -0.07  -0.12     0.00  -0.01   0.01     0.01   0.01  -0.03
    21   1     0.12  -0.16  -0.32     0.00  -0.00  -0.00    -0.02  -0.01   0.02
    22   1     0.22  -0.26  -0.12     0.00   0.01   0.01    -0.03  -0.02  -0.03
    23   1    -0.00   0.01  -0.01    -0.05  -0.01   0.00     0.00  -0.00   0.00
    24   1     0.02   0.01  -0.00    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    25   1     0.01  -0.00   0.00     0.53  -0.17   0.30    -0.42   0.08   0.21
    26   1     0.01   0.01  -0.00     0.41   0.49   0.02     0.40   0.03  -0.26
    27   1    -0.00  -0.00  -0.00    -0.11  -0.18  -0.38    -0.12   0.65  -0.28
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.1638              1485.1971              1492.4537
 Red. masses --      1.0673                 1.0452                 1.0649
 Frc consts  --      1.3834                 1.3583                 1.3975
 IR Inten    --      1.3267                 1.5347                 6.0018
 RamAct Fr= 1--      6.5593                 9.5982                 6.4424
  Dep-P Fr= 1--      0.6971                 0.7208                 0.7361
  Dep-U Fr= 1--      0.8215                 0.8378                 0.8480
 Alpha2 Fr= 1--      0.0061                 0.0048                 0.0015
 Beta2  Fr= 1--      0.8981                 1.3402                 0.9105
 AlphaG Fr= 1--     -0.0300                 0.0116                 0.0097
 Gamma2 Fr= 1--     -1.8217                -1.3347                 1.6383
 Delta2 Fr= 1--     -0.5990                -0.2093                 0.8519
 Raman1 Fr= 1--      26.237                 38.393                 25.770
 ROA1   Fr= 1--    -194.054               -134.834                184.536
 CID1   Fr= 1--      -7.396                 -3.512                  7.161
 Raman2 Fr= 1--      10.777                 16.082                 10.926
 ROA2   Fr= 1--     -38.929                -30.359                 32.504
 CID2   Fr= 1--      -3.612                 -1.888                  2.975
 Raman3 Fr= 1--      21.555                 32.164                 21.852
 ROA3   Fr= 1--    -194.054               -134.834                184.536
 CID3   Fr= 1--      -9.003                 -4.192                  8.445
 RC180  Fr= 1--       0.643                  0.676                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.04  -0.00  -0.02    -0.02   0.02   0.02
     2   6    -0.01  -0.00   0.01    -0.01   0.00   0.00    -0.01   0.01   0.02
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.01  -0.02   0.01     0.03   0.01   0.03    -0.00  -0.02   0.01
     9   6    -0.02  -0.01  -0.04     0.00   0.00   0.00     0.02   0.00   0.02
    10   6    -0.00   0.04  -0.02    -0.00   0.00  -0.00     0.00  -0.04   0.02
    11   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    12   1    -0.04   0.10   0.36    -0.00   0.00   0.00     0.02  -0.04  -0.22
    13   1     0.35   0.06   0.12     0.00  -0.00   0.01    -0.22  -0.07  -0.07
    14   1    -0.01  -0.00  -0.00     0.00   0.00  -0.00    -0.03   0.02  -0.00
    15   1    -0.15  -0.18   0.27    -0.01  -0.01   0.03     0.17   0.20  -0.30
    16   1     0.15  -0.33  -0.01     0.01  -0.03  -0.01    -0.17   0.36   0.01
    17   1    -0.00  -0.26  -0.17    -0.20  -0.06   0.21     0.02  -0.34  -0.25
    18   1     0.21  -0.15   0.09     0.36  -0.10  -0.21     0.29  -0.20   0.10
    19   1    -0.04   0.15  -0.12     0.37   0.22   0.26    -0.05   0.23  -0.17
    20   1    -0.19   0.14  -0.10     0.09   0.16  -0.31    -0.15   0.13  -0.12
    21   1     0.14   0.31  -0.03    -0.17  -0.09   0.23     0.11   0.26  -0.00
    22   1     0.19  -0.09   0.02    -0.33  -0.17  -0.31     0.15  -0.10  -0.01
    23   1    -0.00   0.00   0.00    -0.00   0.01  -0.00     0.02  -0.00   0.00
    24   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    25   1     0.02  -0.01   0.00     0.05  -0.01  -0.02    -0.01   0.00   0.01
    26   1     0.00   0.01   0.00    -0.04   0.01   0.03     0.01   0.00  -0.01
    27   1    -0.00  -0.01  -0.01     0.01  -0.07   0.03    -0.00   0.02  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1501.9772              1505.3942              1509.0072
 Red. masses --      1.0905                 1.0666                 1.0665
 Frc consts  --      1.4494                 1.4241                 1.4308
 IR Inten    --      3.7765                 9.3533                 6.0435
 RamAct Fr= 1--     10.1114                 6.7419                 0.3539
  Dep-P Fr= 1--      0.5613                 0.6624                 0.4301
  Dep-U Fr= 1--      0.7190                 0.7969                 0.6015
 Alpha2 Fr= 1--      0.0362                 0.0105                 0.0023
 Beta2  Fr= 1--      1.2117                 0.8954                 0.0355
 AlphaG Fr= 1--     -0.0040                -0.0299                -0.0042
 Gamma2 Fr= 1--     -1.0453                -0.5655                -0.2661
 Delta2 Fr= 1--      0.1034                 1.1736                 0.0046
 Raman1 Fr= 1--      40.446                 26.967                  1.416
 ROA1   Fr= 1--     -97.041                -16.733                -25.402
 CID1   Fr= 1--      -2.399                 -0.620                -17.943
 Raman2 Fr= 1--      14.540                 10.745                  0.426
 ROA2   Fr= 1--     -25.915                -22.960                 -6.424
 CID2   Fr= 1--      -1.782                 -2.137                -15.089
 Raman3 Fr= 1--      29.080                 21.490                  0.851
 ROA3   Fr= 1--     -97.041                -16.733                -25.402
 CID3   Fr= 1--      -3.337                 -0.779                -29.833
 RC180  Fr= 1--       0.438                  0.594                  0.203
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.00     0.01  -0.01  -0.03    -0.02  -0.01  -0.02
     2   6    -0.02   0.03  -0.02    -0.00  -0.03  -0.01    -0.03  -0.02  -0.02
     3   6     0.01  -0.00   0.01     0.00   0.00   0.01     0.00   0.00  -0.00
     4   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01    -0.00   0.00   0.00
     5   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.01   0.02  -0.02    -0.02  -0.02   0.02    -0.02  -0.01  -0.02
     9   6    -0.03  -0.02  -0.04    -0.02  -0.01  -0.02     0.02   0.02   0.03
    10   6     0.00  -0.04   0.01    -0.00  -0.03   0.02    -0.00   0.02  -0.01
    11   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   1    -0.05   0.12   0.36    -0.03   0.06   0.24     0.04  -0.06  -0.25
    13   1     0.36   0.09   0.12     0.24   0.06   0.08    -0.25  -0.07  -0.08
    14   1    -0.04   0.01   0.01    -0.02  -0.01   0.01     0.01  -0.01   0.00
    15   1     0.13   0.13  -0.20     0.13   0.14  -0.21    -0.07  -0.08   0.13
    16   1    -0.11   0.25   0.01    -0.12   0.27   0.01     0.07  -0.15  -0.00
    17   1    -0.09  -0.15   0.02    -0.08   0.29   0.28    -0.17   0.03   0.23
    18   1     0.24  -0.11  -0.05    -0.19   0.16  -0.13     0.23  -0.02  -0.22
    19   1     0.14   0.17   0.05     0.13  -0.19   0.23     0.32   0.13   0.25
    20   1     0.16  -0.26   0.31    -0.19   0.19  -0.16    -0.17  -0.11   0.28
    21   1    -0.03  -0.30  -0.16     0.17   0.35  -0.04     0.18   0.14  -0.21
    22   1    -0.01   0.22   0.19     0.24  -0.18  -0.02     0.33   0.15   0.29
    23   1     0.00  -0.00  -0.01    -0.02  -0.00  -0.01     0.01   0.01  -0.00
    24   1     0.01   0.00   0.00     0.01   0.00   0.00    -0.01  -0.00  -0.00
    25   1    -0.01   0.00  -0.01    -0.01   0.00  -0.01     0.01  -0.00   0.00
    26   1    -0.01  -0.01   0.00    -0.01  -0.01   0.00    -0.01   0.00   0.01
    27   1     0.00   0.00   0.01     0.00  -0.00   0.01     0.00  -0.01   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1695.3405              1736.6947              3021.4584
 Red. masses --      5.8293                 9.9153                 1.0347
 Frc consts  --      9.8714                17.6198                 5.5652
 IR Inten    --     64.9537               287.7338                25.3744
 RamAct Fr= 1--    576.1940               313.0226                41.9753
  Dep-P Fr= 1--      0.2835                 0.3450                 0.0941
  Dep-U Fr= 1--      0.4418                 0.5131                 0.1720
 Alpha2 Fr= 1--      6.2050                 2.7924                 0.7456
 Beta2  Fr= 1--     42.4239                26.7664                 1.2032
 AlphaG Fr= 1--     -0.3272                -0.0585                 0.0359
 Gamma2 Fr= 1--     -5.5331                 1.3572                -2.2540
 Delta2 Fr= 1--      2.0733                -0.2638                -1.6732
 Raman1 Fr= 1--    2304.776               1252.090                167.901
 ROA1   Fr= 1--    -464.830                121.849               -269.927
 CID1   Fr= 1--      -0.202                  0.097                 -1.608
 Raman2 Fr= 1--     509.087                321.197                 14.439
 ROA2   Fr= 1--    -149.380                 34.683                -40.710
 CID2   Fr= 1--      -0.293                  0.108                 -2.820
 Raman3 Fr= 1--    1018.173                642.394                 28.878
 ROA3   Fr= 1--    -464.830                121.849               -269.927
 CID3   Fr= 1--      -0.457                  0.190                 -9.347
 RC180  Fr= 1--      -0.116                  0.026                 -0.656
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.02   0.01
     2   6    -0.01   0.00  -0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.08  -0.02   0.00     0.01   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.43   0.14   0.14    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     5   6    -0.40  -0.14  -0.14    -0.06  -0.03  -0.03     0.00   0.00   0.00
     6   6    -0.00  -0.01  -0.02     0.54   0.27   0.39     0.00  -0.00  -0.00
     7   8     0.05   0.02   0.02    -0.35  -0.18  -0.25    -0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.03   0.02   0.02
     9   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.01  -0.00  -0.00    -0.03  -0.02  -0.03    -0.00   0.00   0.00
    12   1     0.00   0.01   0.01    -0.00   0.00   0.00    -0.02  -0.00   0.00
    13   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.01
    14   1     0.22   0.04  -0.02    -0.00   0.00  -0.00    -0.00   0.01   0.02
    15   1     0.02   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.01  -0.00
    16   1     0.01   0.04   0.03     0.00   0.00   0.01    -0.01  -0.00   0.01
    17   1    -0.02  -0.01   0.02    -0.00  -0.00  -0.00    -0.24   0.10  -0.16
    18   1     0.01  -0.00  -0.01    -0.00   0.00  -0.00     0.12   0.22   0.13
    19   1     0.01   0.00   0.01    -0.00   0.00  -0.00     0.14  -0.09  -0.13
    20   1    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.21  -0.41  -0.24
    21   1     0.01  -0.01  -0.01     0.00  -0.00  -0.01     0.42  -0.16   0.30
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.14   0.30  -0.31
    23   1    -0.54  -0.03   0.16    -0.01   0.00   0.01    -0.00   0.00   0.00
    24   1     0.39  -0.01  -0.18     0.30   0.05  -0.01     0.00   0.00   0.00
    25   1     0.04  -0.02   0.00    -0.09   0.02  -0.19    -0.00  -0.00  -0.00
    26   1     0.03   0.03  -0.01    -0.05  -0.17  -0.11    -0.00   0.00  -0.00
    27   1    -0.01   0.00   0.01     0.05   0.13   0.27     0.00   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3026.8051              3040.4778              3050.4954
 Red. masses --      1.0360                 1.0372                 1.0581
 Frc consts  --      5.5922                 5.6491                 5.8009
 IR Inten    --     25.7045                 4.3117                43.5468
 RamAct Fr= 1--    283.0652               152.9978               152.9714
  Dep-P Fr= 1--      0.0300                 0.0095                 0.1100
  Dep-U Fr= 1--      0.0582                 0.0187                 0.1982
 Alpha2 Fr= 1--      5.8633                 3.3256                 2.6132
 Beta2  Fr= 1--      2.7451                 0.4781                 5.0538
 AlphaG Fr= 1--     -1.2316                -0.6745                -0.0677
 Gamma2 Fr= 1--      3.2706                -0.5182                -1.5162
 Delta2 Fr= 1--     -0.5722                 1.5811                -3.9062
 Raman1 Fr= 1--    1132.261                611.991                611.886
 ROA1   Fr= 1--     295.668                  0.845               -270.550
 CID1   Fr= 1--       0.261                  0.001                 -0.442
 Raman2 Fr= 1--      32.941                  5.737                 60.645
 ROA2   Fr= 1--      83.073                -25.086                 -5.138
 CID2   Fr= 1--       2.522                 -4.373                 -0.085
 Raman3 Fr= 1--      65.882                 11.474                121.291
 ROA3   Fr= 1--     295.668                  0.845               -270.550
 CID3   Fr= 1--       4.488                  0.074                 -2.231
 RC180  Fr= 1--      -0.884                 -0.963                 -0.604
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04  -0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.01
     4   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.02   0.01   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6     0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.03  -0.02  -0.06
    10   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01   0.00
    11   6    -0.00  -0.00  -0.00    -0.01  -0.02  -0.05    -0.00   0.00   0.00
    12   1    -0.07  -0.01   0.00     0.00   0.00   0.00     0.63   0.09  -0.00
    13   1     0.03  -0.01  -0.07    -0.00   0.00   0.00    -0.30   0.15   0.66
    14   1    -0.00   0.02   0.04    -0.00  -0.00  -0.00    -0.00   0.03   0.08
    15   1     0.01  -0.01  -0.00    -0.00   0.00   0.00     0.08  -0.11  -0.04
    16   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.03  -0.01   0.04
    17   1     0.45  -0.18   0.30    -0.00   0.00  -0.00     0.04  -0.02   0.03
    18   1    -0.23  -0.41  -0.24     0.00   0.00   0.00    -0.03  -0.05  -0.03
    19   1    -0.27   0.18   0.25     0.00  -0.00  -0.00    -0.01   0.01   0.01
    20   1    -0.11  -0.21  -0.13     0.00   0.00   0.00    -0.02  -0.04  -0.02
    21   1     0.22  -0.09   0.15    -0.00   0.00  -0.00     0.02  -0.01   0.01
    22   1     0.08   0.17  -0.17    -0.00  -0.00   0.00     0.01   0.03  -0.03
    23   1     0.00  -0.01  -0.01     0.00  -0.01  -0.02     0.00  -0.01  -0.02
    24   1     0.00   0.00   0.00     0.00   0.00   0.01     0.00  -0.00  -0.00
    25   1     0.00   0.00   0.00     0.17   0.62   0.02    -0.00  -0.00  -0.00
    26   1     0.00  -0.00   0.00     0.35  -0.34   0.44    -0.00   0.00  -0.00
    27   1    -0.00  -0.00   0.00    -0.38  -0.04   0.08     0.00   0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3061.7898              3069.5982              3080.1243
 Red. masses --      1.0783                 1.0674                 1.1018
 Frc consts  --      5.9558                 5.9255                 6.1586
 IR Inten    --     19.1590                23.8673                 2.0379
 RamAct Fr= 1--     36.8483               242.6282                13.4259
  Dep-P Fr= 1--      0.7382                 0.0219                 0.6885
  Dep-U Fr= 1--      0.8494                 0.0429                 0.8155
 Alpha2 Fr= 1--      0.0074                 5.1219                 0.0145
 Beta2  Fr= 1--      5.2163                 1.7346                 1.8248
 AlphaG Fr= 1--     -0.0768                 0.6073                 0.0312
 Gamma2 Fr= 1--     13.4536                -8.7469                 3.9288
 Delta2 Fr= 1--     -1.3291                -8.8450                 2.3213
 Raman1 Fr= 1--     147.393                970.513                 53.704
 ROA1   Fr= 1--    1249.019              -1122.746                451.447
 CID1   Fr= 1--       8.474                 -1.157                  8.406
 Raman2 Fr= 1--      62.596                 20.815                 21.898
 ROA2   Fr= 1--     333.520               -139.167                 75.721
 CID2   Fr= 1--       5.328                 -6.686                  3.458
 Raman3 Fr= 1--     125.192                 41.631                 43.796
 ROA3   Fr= 1--    1249.019              -1122.746                451.447
 CID3   Fr= 1--       9.977                -26.969                 10.308
 RC180  Fr= 1--       0.699                 -0.914                  0.631
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.02  -0.04
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.02  -0.07     0.00   0.01   0.04     0.00   0.00   0.01
     4   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.00   0.00    -0.01   0.01  -0.01     0.04   0.01   0.04
     9   6     0.00   0.00  -0.00    -0.00  -0.00  -0.01    -0.01   0.00   0.00
    10   6    -0.00  -0.03   0.02     0.01  -0.06   0.02     0.00  -0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.04  -0.01  -0.00     0.06   0.01  -0.00     0.06   0.01   0.00
    13   1    -0.01   0.00   0.02    -0.06   0.03   0.14     0.02  -0.01  -0.04
    14   1     0.02   0.26   0.81    -0.01  -0.14  -0.45    -0.00  -0.02  -0.07
    15   1    -0.19   0.25   0.09    -0.38   0.52   0.18    -0.03   0.05   0.01
    16   1     0.22   0.08  -0.30     0.31   0.11  -0.41    -0.00  -0.00   0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.41  -0.18   0.28
    18   1     0.01   0.02   0.01    -0.01  -0.03  -0.01     0.21   0.40   0.22
    19   1     0.01  -0.01  -0.01    -0.02   0.01   0.02     0.05  -0.04  -0.07
    20   1    -0.01  -0.02  -0.01    -0.00  -0.01  -0.01    -0.17  -0.36  -0.21
    21   1    -0.05   0.02  -0.03     0.09  -0.03   0.06    -0.37   0.15  -0.25
    22   1    -0.00  -0.00   0.01    -0.02  -0.03   0.03     0.03   0.05  -0.03
    23   1     0.01  -0.03  -0.07    -0.00   0.01   0.02    -0.00   0.01   0.01
    24   1     0.00  -0.01  -0.02    -0.00   0.01   0.01    -0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3085.5089              3089.3587              3091.0755
 Red. masses --      1.1011                 1.1019                 1.1068
 Frc consts  --      6.1765                 6.1965                 6.2310
 IR Inten    --     46.3497                21.5361                26.8831
 RamAct Fr= 1--    155.5804                71.4980                65.0035
  Dep-P Fr= 1--      0.7334                 0.7486                 0.6215
  Dep-U Fr= 1--      0.8462                 0.8562                 0.7666
 Alpha2 Fr= 1--      0.0441                 0.0017                 0.1526
 Beta2  Fr= 1--     21.9422                10.2033                 8.3053
 AlphaG Fr= 1--      0.1435                 0.0188                -0.1706
 Gamma2 Fr= 1--     -9.5679                18.3199               -43.7345
 Delta2 Fr= 1--      4.7984                 4.1500               -22.0684
 Raman1 Fr= 1--     622.321                285.992                260.014
 ROA1   Fr= 1--    -764.972               1891.507              -4904.706
 CID1   Fr= 1--      -1.229                  6.614                -18.863
 Raman2 Fr= 1--     263.306                122.439                 99.663
 ROA2   Fr= 1--    -268.017                406.476               -873.082
 CID2   Fr= 1--      -1.018                  3.320                 -8.760
 Raman3 Fr= 1--     526.612                244.878                199.326
 ROA3   Fr= 1--    -764.972               1891.507              -4904.706
 CID3   Fr= 1--      -1.453                  7.724                -24.606
 RC180  Fr= 1--       0.692                  0.712                  0.533
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.01  -0.03     0.01  -0.01  -0.01     0.01  -0.02  -0.01
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.05  -0.01  -0.05     0.01   0.07  -0.04    -0.02  -0.03   0.00
     9   6     0.01   0.00  -0.01    -0.02   0.00   0.01    -0.07   0.00   0.04
    10   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.02  -0.01  -0.02
    11   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.11  -0.02  -0.00     0.22   0.03   0.01     0.64   0.10   0.02
    13   1    -0.03   0.02   0.08     0.07  -0.04  -0.18     0.19  -0.10  -0.46
    14   1     0.00   0.01   0.04     0.00   0.02   0.05     0.00   0.01   0.04
    15   1     0.04  -0.05  -0.02     0.02  -0.02  -0.01    -0.15   0.22   0.07
    16   1     0.01   0.01  -0.02    -0.03  -0.01   0.03    -0.13  -0.05   0.17
    17   1     0.38  -0.17   0.26    -0.02   0.01  -0.02    -0.02   0.00  -0.02
    18   1     0.18   0.35   0.19     0.04   0.06   0.04     0.06   0.10   0.06
    19   1     0.07  -0.06  -0.09    -0.11   0.07   0.11    -0.13   0.08   0.12
    20   1     0.18   0.39   0.23    -0.15  -0.28  -0.19     0.10   0.20   0.12
    21   1     0.41  -0.17   0.28     0.25  -0.08   0.16     0.02  -0.02   0.02
    22   1    -0.04  -0.05   0.04    -0.26  -0.52   0.54     0.08   0.17  -0.19
    23   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.02     0.00  -0.01  -0.02
    24   1     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    26   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3096.2829              3096.6647              3116.9024
 Red. masses --      1.0993                 1.1008                 1.1072
 Frc consts  --      6.2093                 6.2194                 6.3377
 IR Inten    --      9.7706                30.5653                38.1556
 RamAct Fr= 1--     33.7537                69.8333               118.1755
  Dep-P Fr= 1--      0.7470                 0.7491                 0.5781
  Dep-U Fr= 1--      0.8552                 0.8566                 0.7326
 Alpha2 Fr= 1--      0.0017                 0.0010                 0.3815
 Beta2  Fr= 1--      4.8110                 9.9694                14.4300
 AlphaG Fr= 1--     -0.0811                -0.0080                 0.3713
 Gamma2 Fr= 1--      0.2526                17.1489                31.6583
 Delta2 Fr= 1--     -0.4159                -2.6297                18.1740
 Raman1 Fr= 1--     135.015                279.333                472.702
 ROA1   Fr= 1--      10.935               1562.143               3620.768
 CID1   Fr= 1--       0.081                  5.592                  7.660
 Raman2 Fr= 1--      57.733                119.633                173.160
 ROA2   Fr= 1--       9.389                432.611                614.408
 CID2   Fr= 1--       0.163                  3.616                  3.548
 Raman3 Fr= 1--     115.465                239.267                346.321
 ROA3   Fr= 1--      10.935               1562.143               3620.768
 CID3   Fr= 1--       0.095                  6.529                 10.455
 RC180  Fr= 1--       0.710                  0.713                  0.465
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.04   0.06   0.05     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
     4   6    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00   0.01
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00     0.00   0.01  -0.01     0.00   0.01  -0.00
     9   6     0.00   0.00  -0.00    -0.02   0.00   0.01     0.03  -0.00  -0.02
    10   6    -0.00   0.00   0.00     0.01  -0.00  -0.01     0.06  -0.02  -0.06
    11   6     0.02  -0.08   0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.01  -0.00  -0.00     0.18   0.03   0.01    -0.24  -0.04  -0.01
    13   1    -0.00   0.00   0.01     0.07  -0.04  -0.16    -0.10   0.05   0.25
    14   1     0.00  -0.00  -0.00    -0.00   0.01   0.02     0.00   0.02   0.07
    15   1     0.00  -0.00  -0.00    -0.05   0.08   0.02    -0.31   0.45   0.14
    16   1     0.00   0.00  -0.01    -0.06  -0.02   0.07    -0.41  -0.18   0.56
    17   1    -0.01   0.00  -0.01     0.16  -0.06   0.13    -0.01   0.00  -0.00
    18   1     0.01   0.02   0.01    -0.19  -0.31  -0.17     0.01   0.01   0.01
    19   1    -0.03   0.02   0.03     0.55  -0.34  -0.52    -0.02   0.01   0.02
    20   1     0.00   0.00   0.00    -0.02  -0.03  -0.02    -0.01  -0.02  -0.02
    21   1    -0.00   0.00  -0.00     0.04  -0.01   0.02     0.01  -0.00   0.01
    22   1     0.00   0.01  -0.01    -0.03  -0.06   0.06    -0.03  -0.05   0.06
    23   1     0.00  -0.00  -0.01    -0.01   0.03   0.08     0.01  -0.04  -0.10
    24   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    25   1     0.20   0.68   0.04     0.01   0.04   0.00    -0.00   0.00   0.00
    26   1    -0.39   0.34  -0.47    -0.02   0.02  -0.03    -0.00   0.00  -0.00
    27   1    -0.01  -0.02   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3139.4068              3146.1764              3158.7765
 Red. masses --      1.0888                 1.1008                 1.0883
 Frc consts  --      6.3226                 6.4201                 6.3980
 IR Inten    --     12.0967                10.3980                 9.9823
 RamAct Fr= 1--     59.5213                88.5863                55.9220
  Dep-P Fr= 1--      0.2041                 0.6211                 0.2293
  Dep-U Fr= 1--      0.3390                 0.7663                 0.3731
 Alpha2 Fr= 1--      0.7996                 0.2087                 0.7018
 Beta2  Fr= 1--      3.3626                11.3138                 3.4771
 AlphaG Fr= 1--     -0.3372                 0.0784                 0.4797
 Gamma2 Fr= 1--     -1.8503                 1.3045                 2.5188
 Delta2 Fr= 1--     -0.0551                 1.5092                 1.2232
 Raman1 Fr= 1--     238.085                354.345                223.688
 ROA1   Fr= 1--    -179.390                173.531                280.949
 CID1   Fr= 1--      -0.753                  0.490                  1.256
 Raman2 Fr= 1--      40.351                135.766                 41.725
 ROA2   Fr= 1--     -43.966                 19.235                 50.666
 CID2   Fr= 1--      -1.090                  0.142                  1.214
 Raman3 Fr= 1--      80.701                271.532                 83.450
 ROA3   Fr= 1--    -179.390                173.531                280.949
 CID3   Fr= 1--      -2.223                  0.639                  3.367
 RC180  Fr= 1--      -0.322                  0.533                 -0.254
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.03  -0.07     0.00  -0.00  -0.01     0.01  -0.01  -0.01
     5   6     0.00   0.01   0.02     0.00   0.00   0.01     0.00  -0.03  -0.08
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.01   0.00  -0.00    -0.09  -0.02   0.00    -0.00  -0.00   0.00
    12   1    -0.02  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   1    -0.02   0.01   0.04    -0.00   0.00   0.01    -0.00   0.00   0.01
    14   1     0.00   0.02   0.07    -0.00   0.00   0.01    -0.00   0.01   0.04
    15   1    -0.03   0.05   0.02    -0.00   0.01   0.00    -0.00   0.01   0.00
    16   1    -0.03  -0.01   0.04    -0.00  -0.00   0.01    -0.01  -0.00   0.01
    17   1    -0.01   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.01   0.02   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.06   0.03   0.05    -0.01   0.01   0.01    -0.01   0.01   0.01
    20   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    21   1     0.01  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   1    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1    -0.09   0.36   0.87    -0.01   0.06   0.13    -0.02   0.08   0.19
    24   1     0.01  -0.08  -0.18     0.01  -0.03  -0.08    -0.06   0.38   0.89
    25   1    -0.00  -0.02  -0.00     0.06   0.26   0.01     0.00   0.01   0.00
    26   1    -0.01   0.01  -0.02     0.13  -0.14   0.18     0.01  -0.01   0.01
    27   1    -0.15  -0.01   0.04     0.88   0.08  -0.20     0.04   0.00  -0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   822.245333556.796303632.79357
           X            0.99977  -0.01240  -0.01744
           Y            0.01269   0.99978   0.01688
           Z            0.01723  -0.01710   0.99971
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10534     0.02435     0.02384
 Rotational constants (GHZ):           2.19489     0.50741     0.49679
 Zero-point vibrational energy     622135.1 (Joules/Mol)
                                  148.69385 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     55.50    88.44   106.17   179.38   218.24
          (Kelvin)            223.31   315.21   348.53   387.03   402.27
                              478.22   509.81   533.88   578.88   643.11
                              775.57   804.62   847.84   906.76  1050.43
                             1155.84  1213.15  1251.47  1285.04  1303.37
                             1362.04  1376.39  1404.07  1419.00  1460.47
                             1472.29  1491.79  1507.98  1512.27  1662.22
                             1719.52  1733.43  1766.32  1787.21  1801.16
                             1828.78  1842.99  1855.95  1876.00  1924.19
                             1982.32  1998.51  2022.45  2047.19  2117.27
                             2129.59  2133.94  2136.87  2147.31  2161.01
                             2165.93  2171.12  2439.22  2498.72  4347.20
                             4354.90  4374.57  4388.98  4405.23  4416.47
                             4431.61  4439.36  4444.90  4447.37  4454.86
                             4455.41  4484.53  4516.91  4526.65  4544.77
 
 Zero-point correction=                           0.236959 (Hartree/Particle)
 Thermal correction to Energy=                    0.249458
 Thermal correction to Enthalpy=                  0.250402
 Thermal correction to Gibbs Free Energy=         0.197971
 Sum of electronic and zero-point Energies=           -465.873446
 Sum of electronic and thermal Energies=              -465.860947
 Sum of electronic and thermal Enthalpies=            -465.860003
 Sum of electronic and thermal Free Energies=         -465.912433
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.537             46.448            110.350
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.742
 Vibrational            154.760             40.487             38.640
 Vibration     1          0.594              1.981              5.331
 Vibration     2          0.597              1.973              4.409
 Vibration     3          0.599              1.966              4.050
 Vibration     4          0.610              1.928              3.027
 Vibration     5          0.619              1.901              2.651
 Vibration     6          0.620              1.897              2.607
 Vibration     7          0.647              1.812              1.967
 Vibration     8          0.658              1.776              1.786
 Vibration     9          0.673              1.730              1.603
 Vibration    10          0.680              1.711              1.536
 Vibration    11          0.714              1.611              1.248
 Vibration    12          0.730              1.566              1.147
 Vibration    13          0.743              1.532              1.075
 Vibration    14          0.768              1.465              0.954
 Vibration    15          0.806              1.368              0.805
 Vibration    16          0.894              1.164              0.567
 Vibration    17          0.915              1.120              0.525
 Vibration    18          0.947              1.055              0.468
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.870030D-91        -91.060466       -209.674471
 Total V=0       0.856814D+18         17.932887         41.291998
 Vib (Bot)       0.101112-104       -104.995196       -241.760373
 Vib (Bot)    1  0.536439D+01          0.729521          1.679783
 Vib (Bot)    2  0.335883D+01          0.526188          1.211594
 Vib (Bot)    3  0.279335D+01          0.446126          1.027242
 Vib (Bot)    4  0.163727D+01          0.214121          0.493032
 Vib (Bot)    5  0.133610D+01          0.125838          0.289752
 Vib (Bot)    6  0.130444D+01          0.115425          0.265776
 Vib (Bot)    7  0.903208D+00         -0.044212         -0.101802
 Vib (Bot)    8  0.808607D+00         -0.092262         -0.212442
 Vib (Bot)    9  0.718810D+00         -0.143386         -0.330158
 Vib (Bot)   10  0.687807D+00         -0.162533         -0.374247
 Vib (Bot)   11  0.561322D+00         -0.250788         -0.577460
 Vib (Bot)   12  0.519222D+00         -0.284647         -0.655424
 Vib (Bot)   13  0.490277D+00         -0.309559         -0.712785
 Vib (Bot)   14  0.442236D+00         -0.354346         -0.815912
 Vib (Bot)   15  0.384589D+00         -0.415004         -0.955581
 Vib (Bot)   16  0.294181D+00         -0.531385         -1.223559
 Vib (Bot)   17  0.278123D+00         -0.555763         -1.279690
 Vib (Bot)   18  0.256186D+00         -0.591445         -1.361853
 Vib (V=0)       0.995765D+04          3.998157          9.206096
 Vib (V=0)    1  0.588764D+01          0.769942          1.772856
 Vib (V=0)    2  0.389584D+01          0.590602          1.359910
 Vib (V=0)    3  0.333775D+01          0.523454          1.205296
 Vib (V=0)    4  0.221192D+01          0.344769          0.793860
 Vib (V=0)    5  0.192659D+01          0.284789          0.655750
 Vib (V=0)    6  0.189699D+01          0.278064          0.640266
 Vib (V=0)    7  0.153237D+01          0.185363          0.426815
 Vib (V=0)    8  0.145071D+01          0.161580          0.372052
 Vib (V=0)    9  0.137561D+01          0.138495          0.318895
 Vib (V=0)   10  0.135034D+01          0.130443          0.300357
 Vib (V=0)   11  0.125172D+01          0.097507          0.224518
 Vib (V=0)   12  0.122083D+01          0.086654          0.199529
 Vib (V=0)   13  0.120027D+01          0.079277          0.182542
 Vib (V=0)   14  0.116751D+01          0.067261          0.154875
 Vib (V=0)   15  0.113080D+01          0.053386          0.122925
 Vib (V=0)   16  0.108012D+01          0.033473          0.077075
 Vib (V=0)   17  0.107215D+01          0.030254          0.069664
 Vib (V=0)   18  0.106181D+01          0.026047          0.059975
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.116680D+07          6.066996         13.969775
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000010965    0.000003526   -0.000010813
      2        6           0.000016793    0.000000254    0.000042509
      3        6          -0.000027443    0.000021782   -0.000034830
      4        6           0.000007155   -0.000024500    0.000006201
      5        6          -0.000004801    0.000003923   -0.000000200
      6        6          -0.000000189   -0.000008067   -0.000002143
      7        8           0.000002207    0.000001575   -0.000001639
      8        6          -0.000003080   -0.000005121   -0.000015391
      9        6          -0.000021396   -0.000008328   -0.000012893
     10        6           0.000016201    0.000007672    0.000018905
     11        6          -0.000003189    0.000000037    0.000011319
     12        1           0.000001910    0.000004236    0.000006469
     13        1           0.000002822    0.000002776    0.000009815
     14        1          -0.000001140    0.000003881    0.000001219
     15        1           0.000003819    0.000002861   -0.000007810
     16        1           0.000006388   -0.000011574   -0.000002855
     17        1           0.000000582   -0.000000013   -0.000001417
     18        1          -0.000002340   -0.000007148    0.000000758
     19        1           0.000001801   -0.000009880   -0.000001226
     20        1          -0.000001305   -0.000001896   -0.000004005
     21        1          -0.000000117    0.000001382    0.000002785
     22        1          -0.000003935    0.000008557    0.000000441
     23        1          -0.000002502    0.000009776    0.000000145
     24        1           0.000004269    0.000004902   -0.000005446
     25        1          -0.000001012    0.000001179   -0.000001464
     26        1          -0.000001853   -0.000000987   -0.000000963
     27        1          -0.000000612   -0.000000807    0.000002530
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000042509 RMS     0.000010125
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.178729D+03  0.753821D+01  0.492515D+01
      2   0.753821D+01  0.112753D+03  0.447053D+01
      3   0.492515D+01  0.447053D+01  0.115668D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.101237D+02  0.985927D+01 -0.316051D+01
      2   0.186519D+02 -0.125138D+02  0.147591D+02
      3   0.321830D+02 -0.461139D+02  0.212522D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.776321D+02 -0.478463D+02 -0.237613D+02
      2   0.663057D+02  0.430595D+02 -0.547123D+01
      3   0.113264D+02  0.478680D+01  0.292326D+02
      4  -0.451990D+02  0.104528D+03 -0.427965D+02
      5  -0.207243D+02 -0.484466D+02  0.233841D+02
      6  -0.254536D+02  0.144552D+02 -0.105600D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.313191D+01  0.163689D+01 -0.464766D+01  0.578070D+00  0.993195D+00
      2   0.163689D+01  0.754476D+00  0.402954D+01  0.993195D+00  0.366720D+01
      3  -0.464766D+01  0.402954D+01 -0.662510D+00  0.407441D+01  0.133384D+01
                 6             7             8             9            10 
      1   0.407441D+01 -0.471716D+01  0.406315D+01 -0.443422D+00  0.249149D+02
      2   0.133384D+01  0.406315D+01  0.220989D+01 -0.390392D+00 -0.260323D+01
      3  -0.133105D+01 -0.443422D+00 -0.390392D+00 -0.199551D+01  0.594189D+01
                11            12            13            14            15 
      1  -0.260323D+01  0.594189D+01 -0.751027D+01  0.162222D+01 -0.514476D+01
      2   0.227421D+00 -0.389658D+01  0.162222D+01 -0.511959D+01 -0.285805D+01
      3  -0.389658D+01  0.189729D+00 -0.514476D+01 -0.285805D+01  0.251997D-01
                16            17            18            19            20 
      1   0.209823D+02 -0.485897D+01  0.208053D+01 -0.481407D+02 -0.224087D+01
      2  -0.485897D+01 -0.242645D+01  0.416829D+00 -0.224087D+01 -0.492787D+01
      3   0.208053D+01  0.416829D+00  0.114838D+01 -0.444721D+01  0.130952D+01
                21            22            23            24            25 
      1  -0.444721D+01  0.533134D+01 -0.924149D+01  0.329545D+01 -0.103361D+02
      2   0.130952D+01 -0.924149D+01 -0.194162D+01 -0.531966D+00  0.257468D+01
      3  -0.762213D+00  0.329545D+01 -0.531966D+00  0.320756D+01 -0.807600D+00
                26            27            28            29            30 
      1   0.257468D+01 -0.807600D+00  0.646419D+02  0.626498D+01  0.453920D+01
      2  -0.134780D+01  0.305459D+01  0.626498D+01  0.371893D+01 -0.231783D+00
      3   0.305459D+01  0.382121D+01  0.453920D+01 -0.231783D+00  0.198764D+01
                31            32            33            34            35 
      1   0.138954D+02  0.741734D+01 -0.790832D+00  0.988278D+01 -0.827449D-01
      2   0.741734D+01  0.403651D+01 -0.187717D+00 -0.827449D-01  0.103708D+01
      3  -0.790832D+00 -0.187717D+00 -0.164121D+01  0.395752D+01 -0.182726D+01
                36            37            38            39            40 
      1   0.395752D+01 -0.599732D+02 -0.794215D+01 -0.594654D+01 -0.140079D+02
      2  -0.182726D+01 -0.794215D+01 -0.282692D+01  0.191972D+00 -0.524356D+01
      3  -0.203539D+01 -0.594654D+01  0.191972D+00 -0.598995D+00  0.286547D-01
                41            42            43            44            45 
      1  -0.524356D+01  0.286547D-01 -0.914016D+01 -0.164544D+00 -0.324144D+01
      2  -0.302404D+01 -0.244297D+00 -0.164544D+00 -0.122756D+01  0.276859D+01
      3  -0.244297D+00  0.302403D+01 -0.324144D+01  0.276859D+01  0.271132D+01
                46            47            48            49            50 
      1   0.435599D+02  0.813785D+01  0.642997D+01  0.114416D+02  0.198137D+01
      2   0.813785D+01  0.671608D+00  0.167425D+01  0.198137D+01  0.830657D+00
      3   0.642997D+01  0.167425D+01  0.649849D+00  0.264118D+01  0.732236D-01
                51            52            53            54            55 
      1   0.264118D+01  0.765167D+01  0.273326D+01  0.243446D+01 -0.391523D+02
      2   0.732236D-01  0.273326D+01  0.349171D+00 -0.161496D+01 -0.660306D+01
      3  -0.188362D+01  0.243446D+01 -0.161496D+01 -0.362181D+01 -0.595737D+01
                56            57            58            59            60 
      1  -0.660306D+01 -0.595737D+01 -0.154982D+02 -0.690121D+01 -0.154373D+01
      2  -0.202765D+01 -0.115451D+01 -0.690121D+01 -0.402427D+01 -0.210195D+01
      3  -0.115451D+01 -0.227213D+01 -0.154373D+01 -0.210195D+01 -0.292049D+00
                61            62            63            64            65 
      1  -0.225705D+02 -0.356155D+01 -0.610274D+01 -0.880592D+01  0.184163D+01
      2  -0.356155D+01 -0.126239D+01 -0.128514D+01  0.184163D+01  0.733053D+00
      3  -0.610274D+01 -0.128514D+01 -0.369162D+01 -0.341204D+01  0.425722D+01
                66            67            68            69            70 
      1  -0.341204D+01  0.194130D+01 -0.695796D+00  0.425145D+01 -0.922895D+01
      2   0.425722D+01 -0.695796D+00  0.306687D+01  0.356294D+01  0.434521D+01
      3   0.272055D+00  0.425145D+01  0.356294D+01 -0.136236D+01 -0.140493D+01
                71            72            73            74            75 
      1   0.434521D+01 -0.140493D+01 -0.693181D+01 -0.214115D+01 -0.188007D+01
      2   0.308357D+01 -0.407257D+00 -0.214115D+01  0.203240D+01 -0.501940D+00
      3  -0.407257D+00  0.167810D+01 -0.188007D+01 -0.501940D+00  0.295996D+01
                76            77            78            79            80 
      1  -0.198329D+01  0.240302D+01 -0.835156D+00  0.423106D+00 -0.240739D+00
      2   0.240302D+01  0.639235D+01  0.266071D+01 -0.240739D+00  0.243337D+01
      3  -0.835156D+00  0.266071D+01 -0.164952D+01  0.256874D+01 -0.279905D+01
                81            82            83            84            85 
      1   0.256874D+01  0.746315D+01  0.264698D+01  0.966728D+00  0.659458D+01
      2  -0.279905D+01  0.264698D+01  0.508114D+01  0.274224D+01  0.725078D+01
      3  -0.294386D+01  0.966728D+00  0.274224D+01 -0.351344D+01  0.182803D+01
                86            87            88            89            90 
      1   0.725078D+01  0.182803D+01  0.879326D+01  0.549232D+01 -0.392473D+01
      2  -0.188309D+01  0.630999D+00  0.549232D+01  0.560087D+00 -0.193738D+00
      3   0.630999D+00  0.286135D+00 -0.392473D+01 -0.193738D+00  0.377045D+00
                91            92            93            94            95 
      1   0.966717D+01  0.105377D+01 -0.301929D+01  0.225352D+01 -0.131924D+01
      2   0.105377D+01 -0.251878D+01 -0.223615D+00 -0.131924D+01 -0.412005D+01
      3  -0.301929D+01 -0.223615D+00 -0.331275D+01 -0.709273D+00 -0.133956D+01
                96            97            98            99           100 
      1  -0.709273D+00 -0.895625D+00 -0.555993D+00 -0.338119D+01  0.116181D+02
      2  -0.133956D+01 -0.555993D+00 -0.570944D+00  0.242889D+01  0.280973D+01
      3   0.265222D+01 -0.338119D+01  0.242889D+01  0.154955D+01  0.254337D+01
               101           102           103           104           105 
      1   0.280973D+01  0.254337D+01  0.110523D+01  0.157475D+01  0.276080D+00
      2   0.201181D+01  0.666736D+00  0.157475D+01  0.655196D+00  0.264114D+00
      3   0.666736D+00  0.143534D+01  0.276080D+00  0.264114D+00  0.306783D+00
               106           107           108           109           110 
      1   0.462699D+00  0.203469D+00  0.113807D+01 -0.171365D+00  0.555342D+00
      2   0.203469D+00 -0.136265D+00  0.658023D+00  0.555342D+00 -0.987612D+00
      3   0.113807D+01  0.658023D+00  0.105223D+01  0.101361D+01 -0.452597D+00
               111           112           113           114           115 
      1   0.101361D+01  0.172767D+00 -0.774832D-01  0.687144D-01  0.923219D+00
      2  -0.452597D+00 -0.774832D-01  0.751969D+00  0.963802D+00  0.430475D-01
      3  -0.217722D+01  0.687144D-01  0.963802D+00  0.143826D+01 -0.149815D+00
               116           117           118           119           120 
      1   0.430475D-01 -0.149815D+00 -0.183703D-01 -0.416432D+00 -0.609607D+00
      2   0.196611D+01  0.226369D+01 -0.416432D+00  0.329532D+00 -0.104660D+00
      3   0.226369D+01  0.765446D+01 -0.609607D+00 -0.104660D+00  0.256735D-01
               121           122           123           124           125 
      1  -0.222521D+01  0.334131D+00 -0.405320D-01 -0.101721D+01  0.761716D-01
      2   0.334131D+00 -0.790076D+00 -0.121766D+01  0.761716D-01 -0.122138D+01
      3  -0.405320D-01 -0.121766D+01 -0.178276D+01  0.448946D+00 -0.121231D+01
               126           127           128           129           130 
      1   0.448946D+00 -0.206227D+01  0.173929D+01 -0.105477D+00 -0.242666D+00
      2  -0.121231D+01  0.173929D+01 -0.453494D+01 -0.216882D+00 -0.199890D+01
      3  -0.704585D+01 -0.105477D+00 -0.216882D+00 -0.273739D+00 -0.291874D+00
               131           132           133           134           135 
      1  -0.199890D+01 -0.291874D+00  0.151126D+00 -0.651727D+00  0.248595D+00
      2   0.843334D+01  0.560455D-02 -0.651727D+00  0.166606D+01  0.118794D+01
      3   0.560455D-02  0.843107D+00  0.248595D+00  0.118794D+01  0.261319D+00
               136           137           138           139           140 
      1   0.329040D+01  0.170740D+01 -0.206458D+01 -0.569095D+00  0.899817D+00
      2   0.170740D+01  0.165492D+01 -0.152592D+01  0.899817D+00  0.219314D+01
      3  -0.206458D+01 -0.152592D+01  0.260376D+01 -0.104826D+01 -0.154057D+01
               141           142           143           144           145 
      1  -0.104826D+01 -0.511043D+01 -0.275451D+01  0.308613D+01  0.567802D+01
      2  -0.154057D+01 -0.275451D+01 -0.296811D+01  0.258273D+01 -0.258059D+01
      3   0.125416D+01  0.308613D+01  0.258273D+01 -0.469359D+01  0.346712D+01
               146           147           148           149           150 
      1  -0.258059D+01  0.346712D+01 -0.118182D+01  0.159040D+01 -0.134491D+01
      2   0.258435D+01 -0.230433D+01  0.159040D+01 -0.246045D+01  0.151511D+01
      3  -0.230433D+01  0.338695D+01 -0.134491D+01  0.151511D+01 -0.123921D+01
               151           152           153           154           155 
      1   0.209264D+01 -0.173723D+01  0.245470D+01 -0.122105D+01 -0.151147D+01
      2  -0.173723D+01  0.138785D+01 -0.197164D+01 -0.151147D+01 -0.251962D+01
      3   0.245470D+01 -0.197164D+01  0.385401D+01  0.137929D+00 -0.416008D+00
               156           157           158           159           160 
      1   0.137929D+00 -0.111780D+01 -0.148608D+01 -0.442615D+00 -0.430810D+00
      2  -0.416008D+00 -0.148608D+01 -0.698371D+01 -0.392988D+00 -0.759291D+00
      3  -0.523798D+00 -0.442615D+00 -0.392988D+00 -0.117897D+01 -0.296527D+00
               161           162           163           164           165 
      1  -0.759291D+00 -0.296527D+00 -0.337012D+01  0.718106D+00  0.203943D+01
      2  -0.272161D+01 -0.856719D+00  0.718106D+00 -0.109071D+01 -0.345557D+00
      3  -0.856719D+00 -0.736276D+00  0.203943D+01 -0.345557D+00 -0.243463D+01
               166           167           168           169           170 
      1   0.173224D+01 -0.985335D+00 -0.827940D+00  0.166391D+01 -0.703363D+00
      2  -0.985335D+00  0.635498D+00  0.381486D+00 -0.703363D+00  0.694051D+00
      3  -0.827940D+00  0.381486D+00  0.165683D+01 -0.199612D+01  0.291023D+00
               171           172           173           174           175 
      1  -0.199612D+01 -0.793570D-01 -0.696911D+00 -0.860863D-01 -0.142025D+01
      2   0.291023D+00 -0.696911D+00 -0.206606D+01 -0.131559D+01  0.469361D+00
      3   0.407925D+01 -0.860863D-01 -0.131559D+01 -0.117265D+01 -0.466510D-01
               176           177           178           179           180 
      1   0.469361D+00 -0.466510D-01 -0.107595D+00 -0.219525D+00  0.355518D+00
      2  -0.619567D+01 -0.299935D+01 -0.219525D+00 -0.280011D+01 -0.216286D+01
      3  -0.299935D+01 -0.216753D+01  0.355518D+00 -0.216286D+01 -0.261983D+01
               181           182           183           184           185 
      1   0.930652D+01 -0.322657D+01  0.167366D+01 -0.238473D+01  0.229094D+01
      2  -0.322657D+01  0.176205D+01 -0.838626D+00  0.229094D+01 -0.198642D+01
      3   0.167366D+01 -0.838626D+00  0.140975D+01 -0.768456D+00  0.177323D+00
               186           187           188           189           190 
      1  -0.768456D+00  0.642892D+01 -0.211831D+01  0.189515D+01  0.300620D+01
      2   0.177323D+00 -0.211831D+01  0.120370D+01 -0.720494D+00  0.682663D+00
      3  -0.441337D+00  0.189515D+01 -0.720494D+00  0.145179D+01 -0.135249D+01
               191           192           193           194           195 
      1   0.682663D+00 -0.135249D+01  0.209176D+01  0.832102D+00 -0.189677D+01
      2   0.605675D+00 -0.984921D+00  0.832102D+00  0.201662D+01 -0.174447D+01
      3  -0.984921D+00  0.151603D+01 -0.189677D+01 -0.174447D+01  0.257577D+01
               196           197           198           199           200 
      1  -0.171170D+01 -0.102284D+01  0.252373D+01  0.143642D+01  0.808060D+00
      2  -0.102284D+01 -0.181435D+01  0.143721D+01  0.808060D+00  0.137525D+00
      3   0.252373D+01  0.143721D+01 -0.444938D+01  0.120077D+01 -0.114977D+00
               201           202           203           204           205 
      1   0.120077D+01  0.159124D+01 -0.104669D+01  0.261213D+00  0.156215D+01
      2  -0.114977D+00 -0.104669D+01  0.626163D+00  0.109034D+01  0.458221D+00
      3  -0.454823D+00  0.261213D+00  0.109034D+01  0.154106D+01 -0.368349D+00
               206           207           208           209           210 
      1   0.458221D+00 -0.368349D+00 -0.827242D+00 -0.492138D+00 -0.905312D+00
      2   0.130163D+01  0.153814D+01 -0.492138D+00 -0.947867D-01 -0.653055D-01
      3   0.153814D+01  0.433996D+01 -0.905312D+00 -0.653055D-01 -0.708543D-01
               211           212           213           214           215 
      1  -0.989837D+00  0.110728D+00 -0.396949D+00 -0.172971D+01 -0.304130D+00
      2   0.110728D+00 -0.125193D+01 -0.152487D+01 -0.304130D+00 -0.160151D+01
      3  -0.396949D+00 -0.152487D+01 -0.249636D+01 -0.234801D+00 -0.221207D+01
               216           217           218           219           220 
      1  -0.234801D+00 -0.946691D+00  0.609055D+00  0.192982D+00  0.233867D+01
      2  -0.221207D+01  0.609055D+00  0.119472D+01  0.325541D+00 -0.321193D+00
      3  -0.712369D+01  0.192982D+00  0.325541D+00  0.104635D+01 -0.820865D+00
               221           222           223           224           225 
      1  -0.321193D+00 -0.820865D+00  0.116555D+01  0.155923D+00  0.183818D-03
      2   0.735651D+01  0.180018D+01  0.155923D+00  0.465190D+00  0.684429D+00
      3   0.180018D+01  0.193060D+01  0.183818D-03  0.684429D+00  0.762661D+00
               226           227           228           229           230 
      1   0.508785D+00 -0.952254D+00  0.950035D+00 -0.121739D+01  0.556116D+00
      2  -0.952254D+00  0.116362D+01 -0.443629D+00  0.556116D+00 -0.111357D+01
      3   0.950035D+00 -0.443629D+00  0.282246D+01 -0.127227D+00  0.165728D+01
               231           232           233           234           235 
      1  -0.127227D+00  0.294024D+01 -0.481457D+00  0.490098D+00 -0.102592D+02
      2   0.165728D+01 -0.481457D+00  0.148173D+01 -0.143220D+01  0.195093D+00
      3  -0.273814D+01  0.490098D+00 -0.143220D+01  0.509134D+01  0.333703D+01
               236           237           238           239           240 
      1   0.195093D+00  0.333703D+01 -0.719137D+00 -0.100930D+01  0.351616D+00
      2  -0.106827D+01 -0.596042D-01 -0.100930D+01  0.232449D+00  0.566499D+00
      3  -0.596042D-01 -0.207579D+01  0.351616D+00  0.566499D+00 -0.537598D+00
               241           242           243 
      1   0.187228D+01  0.714726D-01 -0.133070D+01
      2   0.714726D-01  0.258997D+00 -0.225975D+00
      3  -0.133070D+01 -0.225975D+00  0.112419D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.668928D+01  0.103196D+02  0.573129D+01  0.969405D+01  0.102927D+02
      2  -0.998795D+01  0.225404D+01  0.804606D+01  0.806843D+01 -0.962699D-01
      3  -0.385309D+01 -0.831831D+01  0.244429D+01 -0.810467D-01 -0.787885D+01
                 6             7             8             9            10 
      1  -0.234534D+01  0.613400D+01  0.522897D+01 -0.566699D+01  0.424510D+01
      2  -0.815050D+01  0.337815D+01 -0.815181D+01 -0.289605D+01  0.238337D+02
      3  -0.967246D+01  0.590859D+00 -0.123697D+02  0.103576D+01  0.112124D+02
                11            12            13            14            15 
      1  -0.560605D+01 -0.325440D+00 -0.687744D+01 -0.695824D+01 -0.528385D+01
      2  -0.934378D+01  0.456100D+01 -0.135863D+02 -0.422059D+01  0.193075D+00
      3  -0.199438D+01  0.844932D+01  0.735756D+01  0.140545D+02  0.111778D+02
                16            17            18            19            20 
      1   0.192514D+01  0.369516D+01 -0.317332D+00  0.267183D+01  0.269984D+01
      2   0.817729D+01  0.161691D+01  0.322136D+01 -0.350381D+02 -0.193689D+01
      3   0.115916D+02  0.112140D+02 -0.108234D+01 -0.181199D+02 -0.356944D+01
                21            22            23            24            25 
      1  -0.133926D+01  0.630039D+01  0.385552D+01 -0.257186D+01 -0.422414D+01
      2  -0.245343D+00  0.443139D+00 -0.744614D+01  0.562575D+01 -0.192969D+02
      3  -0.362321D+01  0.571431D+01 -0.741468D+01  0.254432D+01 -0.421434D+01
                26            27            28            29            30 
      1   0.409098D+01 -0.420313D+01 -0.909492D+01  0.106502D+01 -0.556790D+00
      2   0.320006D+01  0.110846D+01  0.367203D+02  0.613787D+01 -0.230019D+01
      3   0.863981D+00 -0.230978D+01  0.174761D+02  0.885291D+01 -0.323656D+00
                31            32            33            34            35 
      1   0.680822D+01 -0.370400D+00 -0.300600D+01 -0.329951D+01  0.251734D+01
      2   0.148392D+02  0.370036D+01 -0.521648D+00 -0.219542D+02 -0.191981D+01
      3   0.391290D+02  0.101797D+02  0.290318D+01 -0.112881D+01  0.392553D-01
                36            37            38            39            40 
      1   0.322515D+01  0.908575D+01 -0.287322D+01  0.133438D+01 -0.985678D+01
      2  -0.805556D+00 -0.246195D+02 -0.619041D+01  0.372929D+01 -0.145612D+02
      3   0.463339D+00 -0.237365D+02 -0.122674D+02 -0.217001D+00 -0.376723D+01
                41            42            43            44            45 
      1  -0.583633D+00 -0.480668D+00  0.979580D+01  0.204058D+01 -0.615840D+00
      2  -0.385997D+01 -0.533595D+01 -0.149317D+02 -0.709083D+01 -0.121106D+02
      3  -0.397669D+01  0.204426D+01  0.168579D+01  0.295529D+01  0.387550D+01
                46            47            48            49            50 
      1  -0.709968D+01  0.112891D+02 -0.888075D+00  0.375383D+01 -0.638531D+01
      2   0.604538D+01  0.605915D+01 -0.786692D+01  0.456916D+01  0.542192D+00
      3   0.159326D+02  0.177594D+02  0.678985D+00  0.254778D+02  0.592579D+01
                51            52            53            54            55 
      1  -0.148956D+02 -0.269109D+00 -0.243918D+01  0.957559D+01  0.436098D+01
      2  -0.736136D-01 -0.164830D+02  0.289806D+01  0.117062D+02 -0.879220D+01
      3  -0.366623D+01  0.129987D+00  0.550508D+00 -0.265644D+01 -0.130913D+02
                56            57            58            59            60 
      1  -0.314269D+01 -0.741547D+00  0.416656D+01  0.284313D+01  0.622095D+00
      2  -0.201514D+01  0.165971D+02 -0.612451D+01  0.181596D+01  0.535105D+01
      3  -0.191918D+02 -0.216689D+01 -0.148677D+02 -0.143530D+02 -0.405713D+01
                61            62            63            64            65 
      1   0.977684D+00  0.353269D+01 -0.295433D+01 -0.441976D+01  0.542812D+01
      2   0.349047D-01  0.946455D+00  0.112707D+02 -0.162689D+02  0.160651D+02
      3  -0.616826D+01 -0.917068D+01 -0.303609D+01  0.179073D+00 -0.638566D+01
                66            67            68            69            70 
      1  -0.527534D+01  0.756436D+01  0.235215D+01 -0.752105D+01 -0.836776D+01
      2  -0.731434D+00  0.150009D+02  0.127423D+02 -0.136002D-01 -0.154765D+02
      3  -0.112289D+02  0.545115D+01 -0.112884D+02 -0.188703D+02 -0.124917D+02
                71            72            73            74            75 
      1  -0.128564D+01  0.424024D+01 -0.127400D+01  0.521478D+01 -0.588474D+01
      2   0.379605D+01  0.681692D+01  0.690607D+01  0.250213D+01  0.137328D+02
      3  -0.170076D+02  0.317486D+01 -0.190476D+01 -0.134889D+02  0.289336D+00
                76            77            78            79            80 
      1   0.185702D+01  0.274010D+01  0.535248D+01 -0.431428D+01  0.100687D+02
      2   0.413753D+00  0.443771D+01 -0.546262D+01  0.565573D+01 -0.881924D+01
      3  -0.596827D+01 -0.152106D+02 -0.101737D+02  0.201677D+01 -0.915607D+01
                81            82            83            84            85 
      1   0.963283D-03 -0.305008D+01 -0.127815D+02  0.891259D+01 -0.135168D+02
      2  -0.126135D+02  0.788331D+01  0.587014D+01 -0.369525D+01  0.887903D+01
      3   0.132534D+02  0.910394D+00 -0.951506D+01 -0.426322D+01  0.434581D+01
                86            87            88            89            90 
      1   0.101703D+01 -0.412608D+01  0.893989D+01  0.249845D+01  0.275258D+00
      2   0.724314D+01  0.210141D+01 -0.250766D+01  0.377681D+01 -0.341613D+01
      3   0.172092D+02  0.484348D+01  0.219086D+00  0.113065D+02 -0.104080D+02
                91            92            93            94            95 
      1   0.205127D+01 -0.674770D+01  0.363166D+01  0.397889D+01 -0.788240D+01
      2   0.304569D+01 -0.677772D+00  0.206051D+02  0.822729D+00  0.940312D+01
      3   0.665638D+01 -0.112198D+02 -0.234527D+01  0.349665D+00 -0.159696D+02
                96            97            98            99           100 
      1  -0.105505D+02 -0.106185D+01  0.213596D+01  0.460627D+01 -0.979349D+00
      2  -0.112950D+02  0.925029D+01 -0.888641D+01 -0.311479D+00 -0.418409D+01
      3  -0.569159D+01 -0.187358D+01 -0.280488D+00  0.667797D+01  0.709772D+01
               101           102           103           104           105 
      1   0.190805D+01 -0.208135D+01  0.358506D+00 -0.148685D-01 -0.143082D+01
      2  -0.305534D+00  0.535416D+01 -0.713291D+00 -0.476208D+00  0.103937D+01
      3  -0.634208D+01  0.108569D+01 -0.990902D-01  0.333035D-01  0.487646D+00
               106           107           108           109           110 
      1  -0.101182D+01 -0.177308D-01 -0.727589D+00 -0.782699D+00 -0.169670D+01
      2   0.103831D+01  0.138824D+01  0.241272D+01  0.429314D+01 -0.185381D+01
      3   0.333222D+00  0.413275D+00 -0.476777D+00 -0.222530D+01  0.250971D+01
               111           112           113           114           115 
      1   0.276502D+01 -0.741308D+00 -0.753583D+00 -0.237236D+01  0.619353D+00
      2  -0.687807D+01 -0.843520D+00  0.324346D+01  0.379288D+01 -0.593093D+01
      3   0.253740D+01  0.234551D+01 -0.153395D+01 -0.232879D+01  0.229502D+01
               116           117           118           119           120 
      1   0.198547D+01 -0.774970D+01  0.407310D+00  0.542778D+00  0.718115D-01
      2   0.586237D+01  0.216605D+02 -0.179184D+01 -0.485973D+00  0.827737D+00
      3  -0.439207D+01 -0.647954D+01  0.504133D+00 -0.123366D+01 -0.306082D+00
               121           122           123           124           125 
      1   0.157885D+01  0.212563D+01  0.564621D+00 -0.335175D+00  0.494774D+01
      2  -0.180322D+01 -0.633645D+00 -0.202846D+01 -0.418465D+01 -0.989472D+00
      3   0.210163D+01  0.530883D+00  0.885776D+00 -0.204905D+00  0.374500D+00
               126           127           128           129           130 
      1   0.323043D+01 -0.704880D+00  0.358158D+01  0.221860D+01  0.180712D+01
      2  -0.629353D+01 -0.149808D+01  0.427193D+00  0.419570D+00 -0.934057D+00
      3   0.148067D+01 -0.897789D+01  0.100644D+02  0.349463D+00  0.946688D+01
               131           132           133           134           135 
      1  -0.526028D+01 -0.501190D+01 -0.175407D+00 -0.237422D+01 -0.171334D+01
      2  -0.139559D+01  0.849056D-01 -0.699853D+00  0.141595D+01  0.584867D+00
      3  -0.185140D+02 -0.414127D+00  0.211867D+01 -0.460772D+01 -0.160707D+01
               136           137           138           139           140 
      1   0.348347D+01  0.164349D+01 -0.609603D+01  0.162795D+01  0.174640D+01
      2  -0.197372D+00 -0.151713D+01  0.492281D+01 -0.222092D+01 -0.203982D+01
      3   0.393246D+01 -0.210862D+01 -0.143355D+01  0.372253D-01 -0.289830D+01
               141           142           143           144           145 
      1  -0.272716D+01 -0.580077D+01 -0.918390D+00  0.971770D+01  0.194610D+01
      2   0.225141D+01 -0.545395D+00  0.256071D+01 -0.604096D+01 -0.267827D+01
      3   0.420305D+00 -0.466665D+01  0.120490D+01  0.153448D+01 -0.419159D+01
               146           147           148           149           150 
      1   0.650011D+00  0.330993D+01 -0.542905D-01 -0.133195D+01 -0.163297D+01
      2  -0.102280D+01  0.358662D+01  0.208031D+01  0.688488D+00 -0.249641D+00
      3  -0.274059D+01 -0.699703D+00  0.192149D+01  0.263147D+01 -0.531009D-02
               151           152           153           154           155 
      1   0.143317D+01  0.624768D+00  0.429731D+01 -0.230695D+01 -0.499003D+01
      2  -0.268502D+01 -0.468678D+00  0.384848D+01  0.254577D+01  0.189073D+01
      3  -0.308318D+01 -0.138351D+00 -0.652474D+00  0.731663D+01  0.594805D+01
               156           157           158           159           160 
      1  -0.298844D+01 -0.338336D+01 -0.108674D+02 -0.549943D+01 -0.210482D+01
      2   0.693109D-01  0.142966D+01  0.311931D+01  0.791385D-01 -0.103742D+01
      3   0.782881D+00  0.750247D+01  0.141471D+02  0.129997D+01  0.340988D+01
               161           162           163           164           165 
      1  -0.385135D+01 -0.383199D+01  0.653869D+01 -0.470450D+01 -0.462121D+01
      2   0.473754D+00 -0.392562D-01  0.128066D+02 -0.255559D+01 -0.564435D+01
      3   0.624537D+01  0.215531D+01  0.608206D+01 -0.115019D+01 -0.344127D+01
               166           167           168           169           170 
      1  -0.459340D+01  0.319784D+01  0.184507D+01 -0.514498D+01  0.396077D+01
      2  -0.606465D+01  0.246581D+01  0.362235D+01 -0.916694D+01  0.209212D+01
      3   0.573980D-01  0.100863D+01  0.123934D+01 -0.337377D+01  0.187129D+01
               171           172           173           174           175 
      1   0.688092D+01  0.530499D+00  0.347232D+00 -0.111401D+01  0.890926D-01
      2   0.849055D+01 -0.183824D+01 -0.501246D+01 -0.293107D+01 -0.260938D+01
      3   0.346554D+01  0.446128D+01  0.671073D+01  0.439148D+01  0.299194D+01
               176           177           178           179           180 
      1   0.221520D+01 -0.291369D+01  0.668253D+00  0.146475D+01 -0.262217D+01
      2  -0.104336D+02 -0.756074D+01 -0.917355D+00 -0.759322D+01 -0.823198D+01
      3   0.202350D+02  0.103612D+02  0.229499D+01  0.103509D+02  0.727449D+01
               181           182           183           184           185 
      1   0.480698D+01 -0.214052D+01  0.366220D+01 -0.260507D+01  0.136655D+01
      2   0.118078D+02 -0.535000D+01  0.951305D+01 -0.439471D+01  0.200268D+01
      3  -0.438795D+00 -0.549259D+01  0.868823D+00 -0.269123D+01  0.502286D+01
               186           187           188           189           190 
      1  -0.186785D+01  0.317009D+01 -0.346930D+00  0.275436D+01 -0.255252D+01
      2  -0.336396D+01  0.837944D+01 -0.347345D+01  0.742514D+01 -0.195654D+01
      3   0.503478D+00  0.193529D+01 -0.292029D+01  0.352945D+00 -0.412418D+01
               191           192           193           194           195 
      1  -0.243906D+01  0.268847D+01 -0.245393D+01 -0.639071D+01  0.384040D+01
      2  -0.251077D+01  0.504430D+01 -0.318788D+01 -0.553636D+01  0.774055D+01
      3  -0.387413D+01  0.477177D+01 -0.305949D+01 -0.923673D+01  0.755659D+01
               196           197           198           199           200 
      1   0.375597D+01  0.635702D+01 -0.615893D+01  0.151654D+00 -0.405959D+00
      2   0.429818D+01  0.419013D+01 -0.130027D+02  0.384116D+00  0.238777D+00
      3   0.479490D+01  0.842749D+01 -0.717146D+01  0.923891D+00  0.551254D+00
               201           202           203           204           205 
      1   0.449158D+00 -0.426763D+01 -0.528913D+00 -0.232090D+01  0.159044D+01
      2  -0.178651D+00 -0.143634D+01 -0.155196D+01 -0.606240D+00 -0.270196D+01
      3   0.757440D+00  0.225212D+01 -0.146575D+00  0.157507D-01  0.184410D+01
               206           207           208           209           210 
      1   0.183941D+01 -0.342352D+01  0.824067D+00 -0.419558D+00 -0.654458D-01
      2   0.248065D+00 -0.230495D+01  0.996829D+00  0.567302D-01  0.102864D+01
      3   0.630617D+00 -0.151863D+00 -0.153262D+01 -0.817272D+00 -0.539803D+00
               211           212           213           214           215 
      1  -0.152626D+01  0.150163D+01 -0.395469D-02  0.463049D+00  0.409512D+01
      2   0.573112D-01  0.311872D+01  0.471438D+01 -0.376977D+01  0.412180D+01
      3   0.350595D+01 -0.199208D+01 -0.311615D+01 -0.712458D+00 -0.329259D+01
               216           217           218           219           220 
      1  -0.176774D+00 -0.294284D+00  0.263638D+01  0.557247D+00 -0.120351D+01
      2   0.129037D+02 -0.114155D+01 -0.258521D+01 -0.317601D+01 -0.262789D+00
      3  -0.474525D+01  0.218771D+01  0.439869D+01  0.142952D+01  0.102031D+01
               221           222           223           224           225 
      1   0.129122D+02  0.194533D+01  0.181493D+01  0.911329D+00  0.568775D+00
      2  -0.761825D+01 -0.518142D+01 -0.286829D+00 -0.218767D+01 -0.333401D+01
      3   0.260488D+02  0.651471D+01  0.192887D+01  0.132336D+01  0.241591D+01
               226           227           228           229           230 
      1  -0.568651D+00  0.265747D+01 -0.407739D+01 -0.309730D+00 -0.326143D+01
      2  -0.645410D+01  0.377721D+01 -0.125128D+02  0.272076D+01 -0.799319D+01
      3  -0.253198D+01  0.265080D+01 -0.160565D+01  0.126560D+01 -0.330561D+01
               231           232           233           234           235 
      1   0.463112D+01 -0.204343D+01  0.418297D+01 -0.617758D+01 -0.128666D+01
      2   0.112493D+02 -0.644435D+01  0.621332D+01 -0.203710D+02  0.163965D+01
      3   0.605231D+01 -0.949002D+00  0.413805D+01 -0.489333D+01 -0.391161D+01
               236           237           238           239           240 
      1  -0.203591D+01  0.722699D+00 -0.657050D+00  0.188281D+00 -0.722651D-01
      2   0.319008D+00  0.595561D+01 -0.581667D+00 -0.122170D+01  0.199784D+01
      3  -0.611329D+01  0.112107D+01 -0.238825D+01  0.464266D+00  0.160494D+01
               241           242           243 
      1   0.631969D+00  0.143248D+01 -0.797017D+00
      2  -0.563395D+00  0.100736D+01 -0.213726D+01
      3   0.167756D+01  0.142616D+01 -0.148970D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.106411D+02  0.619670D+01 -0.710390D+01  0.375565D+00  0.721865D+01
      2   0.101036D+01 -0.209925D+02 -0.494462D+01 -0.135928D+02 -0.187585D+02
      3  -0.116515D+02  0.147958D+02  0.120485D+02  0.132172D+02  0.115398D+02
      4   0.123090D+02 -0.608075D+01  0.239674D+02 -0.229564D+01  0.714805D+01
      5  -0.195061D+02  0.196818D+02 -0.146256D+02  0.190472D+02  0.401426D+01
      6   0.147321D+02 -0.134467D+02  0.128016D+02 -0.871515D+01 -0.406876D+01
                 6             7             8             9            10 
      1   0.218090D+02 -0.604693D+01  0.220129D+02 -0.191607D+01 -0.567897D+01
      2  -0.143516D+02 -0.765869D+01 -0.176205D+02  0.751914D+01  0.106875D+02
      3  -0.745738D+01  0.137056D+02 -0.439234D+01 -0.560307D+01 -0.500852D+01
      4  -0.666994D+01  0.243736D+02 -0.872899D+01  0.468649D+01 -0.171569D+02
      5   0.591957D+01 -0.140815D+02  0.101176D+02 -0.903785D+01  0.143770D+02
      6   0.521690D+01  0.112839D+02  0.356234D+01  0.118060D+01 -0.152475D+02
                11            12            13            14            15 
      1  -0.278283D+01  0.894036D+01 -0.693904D+01 -0.131076D+02 -0.243072D+02
      2   0.672845D+01 -0.646693D+00  0.474590D+01  0.165353D+02  0.872411D+01
      3  -0.394562D+01 -0.829366D+01  0.219314D+01 -0.342774D+01  0.155831D+02
      4   0.212711D+01 -0.231887D+02  0.393358D+01 -0.292087D+02 -0.777242D+01
      5  -0.193157D+02 -0.312160D+01 -0.224272D+02 -0.181963D+02  0.576627D+00
      6   0.109239D+02 -0.477509D+01 -0.300889D+01 -0.172639D+01 -0.781286D+01
                16            17            18            19            20 
      1   0.792645D+01 -0.226910D+02 -0.351094D+01  0.537632D+02  0.128619D+02
      2   0.785815D+01  0.125550D+02 -0.336591D+01 -0.507104D+02 -0.182650D+02
      3  -0.157846D+02  0.101361D+02  0.687685D+01 -0.305274D+01  0.540307D+01
      4  -0.342494D+02  0.546235D+00 -0.370945D+00  0.963953D+01 -0.128140D+02
      5  -0.567505D+01  0.102398D+01  0.307237D+01  0.174231D+02  0.638398D+01
      6  -0.598834D+01 -0.378213D+01  0.161497D+01  0.143400D+02 -0.924429D+00
                21            22            23            24            25 
      1   0.450500D+01  0.239215D+02  0.826964D+01  0.747062D+01  0.498558D+00
      2  -0.315269D+01 -0.219894D+02 -0.134711D+02  0.307397D+01 -0.688351D+01
      3  -0.135231D+01 -0.193206D+01  0.520143D+01 -0.105446D+02  0.638495D+01
      4   0.697650D+01 -0.347608D+02 -0.403489D+01 -0.237952D+01  0.176453D+02
      5   0.433395D+01  0.702313D+01  0.639275D+01  0.579560D+01  0.497902D+01
      6   0.377769D+01  0.879529D+01  0.819543D+01  0.402223D+00  0.424973D+01
                26            27            28            29            30 
      1   0.115537D+02  0.156015D+02 -0.134196D+03 -0.138576D+02 -0.402221D+01
      2  -0.330960D+01  0.650714D+01  0.920847D+02  0.921140D+01  0.458759D+01
      3  -0.824413D+01 -0.221086D+02  0.421118D+02  0.464615D+01 -0.565377D+00
      4  -0.713966D+01  0.101533D+02 -0.133269D+02 -0.110767D+02  0.504904D+00
      5   0.665441D+01  0.703886D+01 -0.374340D+02 -0.168298D+01 -0.140389D+02
      6  -0.525759D+00 -0.216444D+01 -0.193183D+02 -0.658688D+01  0.113020D+01
                31            32            33            34            35 
      1  -0.391668D+02 -0.264431D+02  0.377757D+01 -0.312337D+02 -0.788906D+00
      2   0.285946D+02  0.231428D+02 -0.372298D+01  0.185532D+02 -0.157749D+01
      3   0.105723D+02  0.330021D+01 -0.545882D-01  0.126805D+02  0.236639D+01
      4  -0.107053D+02 -0.106725D+02  0.990272D+00 -0.618711D+01  0.177531D+01
      5  -0.883088D+01 -0.493421D+01 -0.607941D+00 -0.106868D+02  0.183563D+01
      6  -0.682359D+01 -0.900665D+01  0.489798D+01 -0.134964D+01  0.141684D+01
                36            37            38            39            40 
      1  -0.116206D+02  0.180912D+03  0.304833D+02  0.198320D+02  0.338804D+02
      2   0.680521D+00 -0.111694D+03 -0.186392D+02 -0.124463D+02 -0.180735D+02
      3   0.109401D+02 -0.692177D+02 -0.118441D+02 -0.738570D+01 -0.158070D+02
      4   0.115695D+01  0.333101D+02  0.182192D+02 -0.331143D+00  0.323241D+02
      5   0.115550D+01  0.580617D+02  0.376505D+01  0.124425D+02  0.465251D+01
      6  -0.439482D+01  0.208558D+02  0.556658D+01 -0.108358D+01  0.982428D+01
                41            42            43            44            45 
      1   0.535774D+01  0.990422D+01  0.111227D+02  0.104051D+02  0.134316D+02
      2   0.178378D+01  0.194226D+01 -0.127574D+02 -0.392190D+01 -0.148303D+01
      3  -0.714152D+01 -0.118465D+02  0.163470D+01 -0.648324D+01 -0.119485D+02
      4   0.732814D+01  0.303094D+01 -0.779126D+01 -0.313740D+01 -0.103586D+02
      5   0.292445D+01 -0.122717D+02  0.161898D+02 -0.922623D+01 -0.124163D+02
      6   0.994230D+00  0.345023D+01  0.375165D-01  0.209207D+01 -0.101195D+02
                46            47            48            49            50 
      1  -0.171025D+03 -0.326640D+02 -0.400649D+02 -0.581210D+02 -0.173663D+02
      2   0.948626D+02  0.153722D+02  0.214314D+02  0.309459D+02  0.122786D+02
      3   0.761620D+02  0.172918D+02  0.186334D+02  0.271751D+02  0.508768D+01
      4  -0.561104D+02 -0.276773D+02 -0.110640D+02 -0.952789D+01 -0.912478D+01
      5  -0.782206D+02 -0.150171D+02 -0.268139D+02 -0.300597D+02 -0.192948D+01
      6  -0.207163D+02 -0.212722D+01 -0.577080D+01 -0.151266D-01 -0.545302D+01
                51            52            53            54            55 
      1  -0.121941D+02 -0.530316D+02 -0.135793D+02 -0.166059D+02  0.196694D+03
      2   0.109700D+02  0.203868D+02  0.202986D+01  0.146175D+02 -0.104028D+03
      3   0.122417D+01  0.326448D+02  0.115494D+02  0.198844D+01 -0.926664D+02
      4  -0.502086D+00 -0.242403D+02  0.219019D+01  0.806237D+01  0.500828D+02
      5   0.747758D+01 -0.250487D+02  0.834558D+01  0.241291D+02  0.737523D+02
      6   0.213570D+01  0.293467D+01 -0.560138D+01 -0.538064D+01  0.121296D+02
                56            57            58            59            60 
      1   0.324324D+02  0.382658D+02  0.637089D+02  0.302358D+02  0.488881D+01
      2  -0.127801D+02 -0.253605D+02 -0.286803D+02 -0.747692D+01 -0.127119D+01
      3  -0.196523D+02 -0.129054D+02 -0.350286D+02 -0.227589D+02 -0.361762D+01
      4   0.341003D+02  0.982898D+01  0.565144D+02  0.351255D+02  0.168292D+02
      5   0.121552D+02  0.377635D+02  0.214181D+02  0.186259D+02  0.761539D+01
      6   0.653302D+01  0.538142D+01  0.115828D+02  0.909136D+01  0.993144D+01
                61            62            63            64            65 
      1   0.968137D+02  0.124369D+02  0.276076D+02 -0.325985D+02  0.166564D+02
      2  -0.590950D+02 -0.535936D+01 -0.255090D+02  0.992555D+01 -0.555063D+01
      3  -0.377186D+02 -0.707751D+01 -0.209859D+01  0.226729D+02 -0.111057D+02
      4   0.246675D+02  0.130448D+02  0.102893D+02  0.203845D+02 -0.114626D+01
      5   0.678899D+02  0.126240D+02  0.380242D+02 -0.202152D+02  0.257995D+02
      6   0.116534D+02  0.105531D+02  0.589386D+01  0.115261D+02 -0.118309D+02
                66            67            68            69            70 
      1  -0.161088D+02  0.921332D+01  0.102912D+02  0.359545D+02 -0.271007D+02
      2  -0.960267D+00  0.196766D+01 -0.726427D+01 -0.266379D+02  0.147336D+01
      3   0.170690D+02 -0.111810D+02 -0.302693D+01 -0.931657D+01  0.256273D+02
      4   0.309051D+02 -0.736563D+01  0.123315D+02  0.113441D+02  0.380206D+02
      5   0.112345D+01  0.261954D+02  0.167365D+02 -0.133096D+02 -0.299749D+01
      6  -0.503866D+01 -0.783470D+01 -0.129980D+02 -0.629206D+01 -0.293104D+01
                71            72            73            74            75 
      1   0.367013D+02 -0.554373D+01 -0.522827D+02 -0.193856D+02 -0.146790D+02
      2  -0.274114D+02  0.620525D+01  0.223754D+02  0.890138D+01 -0.236644D+01
      3  -0.928988D+01 -0.661521D+00  0.299073D+02  0.104842D+02  0.170454D+02
      4   0.723760D+01 -0.450693D+01 -0.262101D+02  0.624618D+00 -0.386442D+01
      5  -0.893110D+01  0.106531D+02 -0.189537D+02 -0.446237D+01  0.100553D+02
      6  -0.730803D+01 -0.243054D+00 -0.409634D+01 -0.424478D+01  0.844301D+01
                76            77            78            79            80 
      1  -0.156385D+02  0.915452D+01 -0.296042D+01 -0.353448D+01 -0.176651D+01
      2   0.118164D+02 -0.233890D+01  0.115937D+02 -0.574237D+01  0.818934D+01
      3   0.382209D+01 -0.681562D+01 -0.863332D+01  0.927685D+01 -0.642282D+01
      4   0.873967D+01  0.306262D+02  0.120388D+02 -0.405077D+00  0.325460D+01
      5  -0.665173D+01  0.193333D+02 -0.841912D+01  0.125975D+02 -0.100593D+02
      6   0.502620D+01  0.999117D+01 -0.181306D+01  0.628831D+01 -0.404428D+01
                81            82            83            84            85 
      1   0.233906D+02 -0.124318D+02 -0.142191D+02 -0.854021D+01 -0.164793D+02
      2  -0.518158D+01  0.181778D+02  0.322934D+02  0.111312D+02  0.289317D+02
      3  -0.182090D+02 -0.574595D+01 -0.180743D+02 -0.259100D+01 -0.124524D+02
      4  -0.560935D+01  0.670448D+01  0.994225D+01  0.964460D+01  0.235067D+02
      5  -0.881202D+01  0.387048D+00  0.950838D+01 -0.183058D+02  0.838879D+01
      6  -0.997036D+01  0.396688D+00  0.910502D+01 -0.164437D+02  0.201282D+01
                86            87            88            89            90 
      1   0.128979D+02  0.711899D+01 -0.305653D+02  0.713990D+01 -0.122429D+02
      2  -0.141042D+02 -0.606360D+01  0.297569D+02 -0.490668D+01  0.911603D+01
      3   0.120624D+01 -0.105539D+01  0.808336D+00 -0.223322D+01  0.312690D+01
      4   0.112006D+02  0.643845D+01  0.177803D+02  0.125896D+02 -0.113859D+02
      5  -0.181030D+01  0.166209D+00 -0.270625D+02 -0.717915D+01  0.475530D+01
      6  -0.433821D+01 -0.134937D+01 -0.212437D+02 -0.429021D+01  0.648890D+01
                91            92            93            94            95 
      1  -0.616435D+02 -0.320938D+01  0.361991D+02 -0.120180D+02  0.241333D+02
      2   0.376192D+02 -0.427447D+01 -0.101312D+02  0.463897D+01 -0.193605D+02
      3   0.240243D+02  0.748385D+01 -0.260679D+02  0.737898D+01 -0.477276D+01
      4  -0.249128D+01  0.172246D+02  0.178927D+01  0.918255D+01  0.242076D+02
      5   0.317253D+02  0.349967D+01  0.129757D+02  0.783709D+01  0.381628D+01
      6   0.226158D+01 -0.797168D+01  0.131373D+01 -0.412402D+01 -0.112353D+02
                96            97            98            99           100 
      1  -0.211602D+01  0.187872D+02 -0.454206D+01  0.160873D+02  0.850948D+02
      2  -0.121494D+02 -0.292057D+01 -0.416705D+01 -0.983797D+01 -0.410511D+02
      3   0.142654D+02 -0.158666D+02  0.870911D+01 -0.624934D+01 -0.440437D+02
      4   0.661926D+01  0.440124D+01  0.607932D+00 -0.156466D+02  0.379375D+02
      5  -0.146542D+02  0.170884D+02 -0.137038D+02 -0.176218D+02  0.268461D+02
      6  -0.438262D+01 -0.162016D+01  0.249633D+01  0.126749D+02  0.832559D+01
               101           102           103           104           105 
      1   0.166915D+02  0.142539D+02  0.682737D+01  0.712997D+01  0.112815D+01
      2  -0.465915D+01 -0.850945D+01  0.655565D-01  0.811688D+00 -0.126955D+01
      3  -0.120324D+02 -0.574446D+01 -0.689292D+01 -0.794166D+01  0.141399D+00
      4   0.209835D+02  0.830204D+01  0.169233D+02  0.788455D+01  0.296188D+01
      5   0.703262D+01  0.149403D+02  0.345155D+01  0.224238D+01  0.224873D+01
      6   0.478368D+01  0.448240D+01  0.331809D+01  0.490645D+00  0.296178D+01
               106           107           108           109           110 
      1   0.297869D+01  0.969593D+00  0.503207D+01  0.929588D+00  0.597174D+01
      2  -0.290036D+01 -0.254658D+01 -0.470817D+01 -0.251167D+01 -0.341505D+01
      3  -0.783258D-01  0.157699D+01 -0.323900D+00  0.158208D+01 -0.255669D+01
      4   0.243684D+01 -0.247489D-01  0.553097D+01  0.234311D+01 -0.192860D+01
      5   0.119485D+02  0.462848D+01  0.690299D+01  0.316078D+01 -0.343373D-01
      6   0.347804D+01  0.278672D+01  0.357308D+01  0.373882D+01 -0.341230D+01
               111           112           113           114           115 
      1   0.108663D+02  0.257446D+01 -0.750937D+01 -0.486491D+01  0.767442D+01
      2   0.171092D-01 -0.182142D+01  0.342890D+01  0.197928D+01 -0.372267D+01
      3  -0.108835D+02 -0.753036D+00  0.408047D+01  0.288563D+01 -0.395175D+01
      4   0.106946D+01  0.219952D+01  0.182203D+01  0.347711D+01  0.364204D+01
      5  -0.417536D+01  0.172112D+01  0.227970D+01  0.561341D+01  0.495182D+01
      6  -0.628870D+01 -0.861369D+00  0.623134D+01  0.112838D+02  0.816762D+00
               116           117           118           119           120 
      1  -0.793489D+01 -0.243886D+02  0.670629D+00  0.170326D+00 -0.185090D+01
      2   0.122224D+01 -0.894813D+01 -0.423747D+01 -0.357175D+00 -0.312277D+00
      3   0.671265D+01  0.333367D+02  0.356684D+01  0.186850D+00  0.216318D+01
      4   0.837321D+01  0.849983D+01 -0.987788D+00  0.299272D+01  0.660209D+00
      5   0.979629D+01  0.298592D+02 -0.269498D+00  0.158509D+01  0.733363D+01
      6   0.117793D+02  0.227364D+02  0.146162D+01  0.294531D+00 -0.544796D-01
               121           122           123           124           125 
      1   0.162213D+01 -0.718677D+01 -0.552895D+01 -0.112341D+01 -0.269280D+01
      2  -0.102736D+01  0.227242D+01 -0.230969D+01  0.143921D+01 -0.276806D+01
      3  -0.594767D+00  0.491435D+01  0.783863D+01 -0.315805D+00  0.546086D+01
      4   0.178408D+01 -0.285432D+01 -0.221809D+01 -0.788747D-01 -0.261623D+01
      5   0.194038D+01 -0.242056D+01 -0.366119D+01  0.539525D+01 -0.266901D+01
      6   0.478258D-01  0.207809D+01  0.725126D+01 -0.783199D+00  0.574065D+01
               126           127           128           129           130 
      1  -0.248477D+02 -0.725341D+01  0.205861D+02  0.778518D+00  0.116559D+02
      2  -0.129394D+02  0.983747D+01 -0.292741D+02 -0.153318D+01 -0.149204D+02
      3   0.377871D+02 -0.258406D+01  0.868803D+01  0.754666D+00  0.326443D+01
      4  -0.444274D+01 -0.445558D+01  0.238534D+01 -0.567596D+00  0.630391D+01
      5  -0.124614D+02  0.668996D+00 -0.776134D+00  0.162499D+01 -0.781368D+00
      6   0.221048D+01  0.259221D+00  0.239212D+00 -0.203854D+01  0.515712D+00
               131           132           133           134           135 
      1  -0.366060D+02 -0.256543D+00  0.452311D+01 -0.663872D+01 -0.430854D+01
      2   0.567098D+02  0.137693D+01 -0.408944D+01  0.102059D+02  0.525301D+01
      3  -0.201039D+02 -0.112039D+01 -0.433665D+00 -0.356715D+01 -0.944470D+00
      4   0.851656D+01 -0.509529D+00  0.199182D+00  0.181844D+01  0.219438D+01
      5   0.215917D+00  0.212442D+01  0.374609D+01  0.261323D+01  0.924947D-01
      6  -0.988133D+00  0.743418D+01  0.963007D+00  0.887518D+01  0.140681D+01
               136           137           138           139           140 
      1   0.114137D+02  0.124055D+01 -0.251875D+01  0.362788D+01 -0.540694D+01
      2  -0.467341D+01  0.195530D+01  0.645974D+00 -0.962529D+00  0.957971D+01
      3  -0.674027D+01 -0.319584D+01  0.187277D+01 -0.266535D+01 -0.417277D+01
      4   0.178299D+02  0.146655D+02 -0.119457D+02  0.107766D+02  0.115743D+02
      5  -0.179368D+02 -0.103764D+02  0.184992D+02 -0.574637D+01 -0.897598D+01
      6  -0.109714D+02 -0.935951D+01  0.126978D+02 -0.668598D+01 -0.105513D+02
               141           142           143           144           145 
      1   0.273555D+01  0.160519D+01  0.697203D+01 -0.635372D+01  0.145577D+02
      2  -0.429485D+01 -0.214012D+01 -0.760433D+01 -0.211078D+01 -0.101640D+02
      3   0.155929D+01  0.534938D+00  0.632297D+00  0.846450D+01 -0.439376D+01
      4  -0.926101D+01 -0.182140D+02 -0.159825D+02  0.161737D+02 -0.256881D+02
      5   0.796593D+01  0.220959D+02  0.149450D+02 -0.256934D+02  0.277724D+02
      6   0.100719D+02  0.168667D+02  0.174838D+02 -0.235823D+02 -0.143024D+02
               146           147           148           149           150 
      1  -0.147449D+01  0.229389D+01 -0.850286D+00 -0.365932D+01  0.180445D+01
      2  -0.791197D+00 -0.638737D+01 -0.671220D+00  0.747747D+01 -0.151891D+01
      3   0.226568D+01  0.409349D+01  0.152151D+01 -0.381814D+01 -0.285535D+00
      4   0.197418D+02 -0.175289D+02  0.135753D+02 -0.141657D+02  0.104584D+02
      5  -0.151273D+02  0.247310D+02 -0.919850D+01  0.930888D+01 -0.848407D+01
      6   0.134291D+02 -0.149413D+02  0.908487D+01 -0.110457D+02  0.103751D+02
               151           152           153           154           155 
      1   0.377346D+01  0.208403D+01 -0.347436D+01 -0.631133D+01 -0.113487D+02
      2  -0.641974D+01  0.259220D+00 -0.776296D+01  0.791858D+01  0.172885D+02
      3   0.264628D+01 -0.234325D+01  0.112373D+02 -0.160725D+01 -0.593975D+01
      4  -0.142529D+02  0.105802D+02 -0.138603D+02  0.191398D+01  0.316651D+01
      5   0.204692D+02 -0.120807D+02  0.229606D+02 -0.102307D+01 -0.459528D+01
      6  -0.115091D+02  0.117525D+02 -0.165534D+02 -0.153357D+01 -0.185963D+01
               156           157           158           159           160 
      1   0.966754D+00 -0.674231D+01 -0.260448D+02 -0.119333D+01 -0.234922D+01
      2   0.236576D+01  0.105183D+02  0.429077D+02  0.559358D+01  0.384536D+01
      3  -0.333251D+01 -0.377603D+01 -0.168629D+02 -0.440025D+01 -0.149614D+01
      4  -0.128747D+01  0.459851D+01 -0.947859D+01  0.953137D+00  0.428225D-01
      5   0.831375D+00 -0.472118D+01 -0.498669D+01 -0.388084D+01  0.607529D+00
      6   0.185109D+01 -0.346349D+00 -0.652240D+01  0.611930D+01  0.269657D+00
               161           162           163           164           165 
      1  -0.972022D+01 -0.359658D+01 -0.697416D+01 -0.261222D+01  0.112213D+02
      2   0.156943D+02  0.469911D+01 -0.478096D+01  0.630925D+01  0.429091D+01
      3  -0.597413D+01 -0.110252D+01  0.117551D+02 -0.369703D+01 -0.155122D+02
      4  -0.396361D+01 -0.108735D+01  0.651814D+01 -0.120669D+01 -0.592195D+01
      5  -0.358912D+01 -0.197860D+01 -0.401090D+01 -0.874501D+00  0.308862D+01
      6   0.395109D+01  0.359391D+01 -0.236604D+01 -0.228694D+01  0.413411D+01
               166           167           168           169           170 
      1   0.208573D+01 -0.295759D+01 -0.702691D+01  0.894755D+01 -0.227726D+01
      2   0.358953D+01  0.218213D+00 -0.190705D+01  0.428379D+01 -0.192165D+01
      3  -0.567526D+01  0.273937D+01  0.893396D+01 -0.132313D+02  0.419891D+01
      4  -0.254528D+01  0.268561D+01  0.195808D+01 -0.733176D+01  0.258905D+01
      5  -0.253138D+00 -0.816406D+00  0.237714D+01  0.560633D+01 -0.169856D+01
      6  -0.189326D+01  0.295510D+01  0.100458D+01  0.146208D+01  0.381107D+01
               171           172           173           174           175 
      1  -0.155141D+02 -0.234322D+01 -0.128652D+02 -0.576303D+01 -0.925544D+01
      2  -0.896445D+01  0.278784D+01  0.105740D+02  0.321215D+01  0.354924D+01
      3   0.244785D+02 -0.444615D+00  0.229113D+01  0.255088D+01  0.570620D+01
      4   0.436850D+01 -0.129454D+01 -0.440554D+01 -0.475769D+01  0.813138D+01
      5   0.208460D+01  0.183396D+01 -0.400366D+01 -0.297918D+01  0.225855D+01
      6  -0.639258D+01  0.156901D+01  0.705880D+01  0.550719D+01 -0.706669D+00
               176           177           178           179           180 
      1  -0.229698D+02 -0.140370D+02 -0.242144D+01 -0.146875D+02 -0.103665D+02
      2   0.270408D+02  0.103322D+02  0.214171D+01  0.101693D+02  0.334680D+01
      3  -0.407102D+01  0.370476D+01  0.279735D+00  0.451812D+01  0.701974D+01
      4  -0.299066D+02 -0.142929D+02  0.775707D-01 -0.136409D+02 -0.978513D+01
      5  -0.144739D+02 -0.108714D+02  0.489037D+01 -0.980149D+01 -0.134652D+02
      6   0.212986D+02  0.154110D+02 -0.216590D+00  0.151458D+02  0.134957D+02
               181           182           183           184           185 
      1   0.734421D+02 -0.196280D+02  0.137593D+02 -0.171244D+02  0.913390D+01
      2  -0.296447D+02  0.365653D+01 -0.365369D+01  0.156534D+01  0.140693D+01
      3  -0.437974D+02  0.159714D+02 -0.101056D+02  0.155591D+02 -0.105408D+02
      4  -0.394269D+02  0.209651D+02 -0.879759D+01  0.236189D+02 -0.177421D+02
      5   0.813682D+01 -0.416339D+01  0.126618D+02 -0.381553D+01  0.114769D+01
      6  -0.352112D+01  0.150429D+01 -0.378009D+01  0.133020D+01  0.212703D+00
               186           187           188           189           190 
      1  -0.561586D+01  0.329874D+02 -0.106754D+02  0.116329D+02  0.189502D+02
      2   0.153012D+01 -0.113042D+02  0.238328D+01 -0.540054D+01 -0.132205D+02
      3   0.408574D+01 -0.216832D+02  0.829211D+01 -0.623233D+01 -0.572968D+01
      4   0.382906D+01 -0.224012D+02  0.124062D+02 -0.764528D+01  0.188096D+01
      5  -0.306984D+01  0.138180D+02 -0.465740D+01  0.114067D+02 -0.140571D+02
      6   0.383084D+01 -0.491301D+01  0.380008D+01 -0.476823D+01 -0.139777D+01
               191           192           193           194           195 
      1   0.445541D+01 -0.912006D+01  0.142505D+02  0.343032D+01 -0.992424D+01
      2  -0.490073D+01  0.103204D+02 -0.116651D+02 -0.501672D+01  0.130482D+02
      3   0.445315D+00 -0.120038D+01 -0.258536D+01  0.158639D+01 -0.312393D+01
      4   0.596130D+01 -0.605076D+01  0.623710D+01  0.131358D+02 -0.963631D+01
      5  -0.846573D+01  0.153237D+02 -0.156514D+02 -0.115779D+02  0.186772D+02
      6  -0.193249D+00  0.209365D+00 -0.256815D+00 -0.338635D+01  0.289847D+01
               196           197           198           199           200 
      1  -0.111265D+02 -0.665927D+01  0.808957D+01 -0.380973D-01 -0.186489D+01
      2   0.138629D+02  0.102202D+02 -0.191541D+02  0.158654D+01  0.169873D+01
      3  -0.273645D+01 -0.356091D+01  0.110645D+02 -0.154844D+01  0.166165D+00
      4  -0.565124D+01 -0.104634D+02  0.731998D+01 -0.101762D+01  0.147944D+01
      5   0.220527D+02  0.109847D+02 -0.325258D+02 -0.336390D+01  0.106116D+01
      6  -0.573447D+00  0.491038D+01  0.742904D+00  0.619155D+00  0.590621D-01
               201           202           203           204           205 
      1  -0.199450D+01 -0.219058D+01 -0.246775D+00 -0.451935D+01 -0.291529D+01
      2   0.176741D+01 -0.167853D+01  0.627407D+00  0.252767D+01  0.249335D+01
      3   0.227092D+00  0.386911D+01 -0.380632D+00  0.199168D+01  0.421945D+00
      4   0.188474D+01  0.859830D+00 -0.941911D+00 -0.225649D+01  0.225788D+01
      5   0.392091D+01  0.463965D+00 -0.706295D+00 -0.183219D+01  0.328213D+01
      6  -0.269496D+00 -0.661526D+00  0.338846D+01  0.288203D+01  0.612282D-01
               206           207           208           209           210 
      1  -0.511341D+01 -0.770931D+01 -0.387291D+00  0.898190D+00  0.236789D+01
      2   0.390848D+01  0.171309D+01 -0.201070D+01 -0.484961D+00 -0.685576D+00
      3   0.120493D+01  0.599621D+01  0.239799D+01 -0.413229D+00 -0.168231D+01
      4  -0.206144D+01 -0.395023D+01  0.141843D+01  0.206200D+01  0.209435D+01
      5  -0.320628D+01 -0.684177D+01  0.272712D+01  0.240176D+01  0.705322D+01
      6   0.415045D+01  0.655895D+01  0.207198D+01  0.442835D-01  0.728382D+00
               211           212           213           214           215 
      1   0.220152D+01 -0.649923D+01 -0.860810D+01  0.342103D+01 -0.820094D+01
      2  -0.320736D+01  0.156229D+01 -0.194359D+00 -0.283812D+01  0.915822D+00
      3   0.100585D+01  0.493694D+01  0.880246D+01 -0.582917D+00  0.728512D+01
      4  -0.447624D+00  0.341422D+01  0.428137D+01  0.235085D+01  0.424650D+01
      5   0.294915D+01  0.520768D+01  0.898283D+01  0.464932D+01  0.714424D+01
      6  -0.540032D+00  0.539696D+01  0.690891D+01  0.150902D+01  0.801769D+01
               216           217           218           219           220 
      1  -0.250681D+02  0.333364D+01 -0.839887D+01 -0.603514D+01 -0.104781D+02
      2  -0.647524D+01 -0.124213D+00  0.674342D+01  0.173237D+01  0.501458D+01
      3   0.315434D+02 -0.320942D+01  0.165544D+01  0.430277D+01  0.546348D+01
      4   0.596509D+01 -0.285156D+01 -0.357533D+01 -0.134128D+01  0.722581D+01
      5   0.232739D+02 -0.965436D+00  0.234240D+00 -0.406824D+01  0.811890D+01
      6   0.997914D+01  0.186459D+01  0.402293D+01  0.182397D+01 -0.201604D+01
               221           222           223           224           225 
      1  -0.211085D+02 -0.412287D+01 -0.463377D+01 -0.298531D+01 -0.669270D+01
      2   0.284923D+02  0.293479D+01  0.254265D+01  0.260233D-01  0.204980D+01
      3  -0.738376D+01  0.118808D+01  0.209112D+01  0.295928D+01  0.464290D+01
      4  -0.447956D+02 -0.114072D+02 -0.135504D+01 -0.254214D+01 -0.358031D+01
      5  -0.879765D+01 -0.120390D+02  0.142864D+01 -0.340548D+01 -0.379519D+01
      6   0.206615D+02  0.103814D+02  0.127382D-01  0.684824D+01  0.258064D+01
               226           227           228           229           230 
      1  -0.486964D+01  0.666884D+01 -0.165530D+02  0.790333D+01 -0.117381D+02
      2  -0.899638D+00 -0.110786D+01 -0.472839D+00 -0.389837D+01  0.414659D+01
      3   0.576928D+01 -0.556099D+01  0.170259D+02 -0.400496D+01  0.759153D+01
      4   0.404242D+01 -0.571607D+01  0.148324D+01 -0.121331D+01  0.488665D+01
      5  -0.490994D+00 -0.564873D-01 -0.973331D+01 -0.315652D+01 -0.686008D+01
      6  -0.269183D+01  0.449924D+01 -0.292796D+01  0.167546D+01 -0.569384D+01
               231           232           233           234           235 
      1   0.956232D+01 -0.168617D+02  0.768414D+01 -0.227521D+02  0.859373D+02
      2   0.361058D+01  0.612341D+01  0.157928D+01 -0.788281D+01 -0.482762D+02
      3  -0.131729D+02  0.107383D+02 -0.926342D+01  0.306349D+02 -0.376611D+02
      4  -0.862504D+01  0.377946D+01 -0.870559D+01  0.729323D+01 -0.775913D+01
      5   0.136763D+02  0.289549D+01  0.593639D+01 -0.233474D+02 -0.455003D+02
      6   0.951151D+01 -0.189139D+01  0.697663D+01 -0.653986D+01  0.107613D-01
               236           237           238           239           240 
      1  -0.951575D+00 -0.233289D+02  0.612970D+01  0.642888D+01 -0.185872D+01
      2  -0.265936D+00  0.167772D+02 -0.370449D+01 -0.229514D+01  0.241450D+01
      3   0.121751D+01  0.655171D+01 -0.242522D+01 -0.413374D+01 -0.555774D+00
      4   0.117384D+02  0.200689D+01  0.111559D+02 -0.142346D+01 -0.475440D+01
      5   0.313376D+00  0.248268D+02 -0.417237D+01 -0.575999D+01  0.388412D+01
      6  -0.381947D+01 -0.869584D+00 -0.379891D+01  0.498990D+00  0.295761D+01
               241           242           243 
      1  -0.113988D+02  0.134558D-01  0.852734D+01
      2   0.104279D+02  0.776095D+00 -0.909540D+01
      3   0.970880D+00 -0.789550D+00  0.568064D+00
      4   0.482898D+00 -0.225326D+01  0.535547D+00
      5   0.176995D+02  0.109623D+01 -0.124872D+02
      6  -0.132898D+01  0.215397D+01 -0.151581D+00
 Leave Link  716 at Thu Aug 12 20:42:44 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.178729D+03  0.753821D+01  0.492515D+01
      2   0.753821D+01  0.112753D+03  0.447053D+01
      3   0.492515D+01  0.447053D+01  0.115668D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.101237D+02  0.985927D+01 -0.316051D+01
      2   0.186519D+02 -0.125138D+02  0.147591D+02
      3   0.321830D+02 -0.461139D+02  0.212522D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.776321D+02 -0.478463D+02 -0.237613D+02
      2   0.663057D+02  0.430595D+02 -0.547123D+01
      3   0.113264D+02  0.478680D+01  0.292326D+02
      4  -0.451990D+02  0.104528D+03 -0.427965D+02
      5  -0.207243D+02 -0.484466D+02  0.233841D+02
      6  -0.254536D+02  0.144552D+02 -0.105600D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.313191D+01  0.163689D+01 -0.464766D+01  0.578070D+00  0.993195D+00
      2   0.163689D+01  0.754476D+00  0.402954D+01  0.993195D+00  0.366720D+01
      3  -0.464766D+01  0.402954D+01 -0.662510D+00  0.407441D+01  0.133384D+01
                 6             7             8             9            10 
      1   0.407441D+01 -0.471716D+01  0.406315D+01 -0.443422D+00  0.249149D+02
      2   0.133384D+01  0.406315D+01  0.220989D+01 -0.390392D+00 -0.260323D+01
      3  -0.133105D+01 -0.443422D+00 -0.390392D+00 -0.199551D+01  0.594189D+01
                11            12            13            14            15 
      1  -0.260323D+01  0.594189D+01 -0.751027D+01  0.162222D+01 -0.514476D+01
      2   0.227421D+00 -0.389658D+01  0.162222D+01 -0.511959D+01 -0.285805D+01
      3  -0.389658D+01  0.189729D+00 -0.514476D+01 -0.285805D+01  0.251997D-01
                16            17            18            19            20 
      1   0.209823D+02 -0.485897D+01  0.208053D+01 -0.481407D+02 -0.224087D+01
      2  -0.485897D+01 -0.242645D+01  0.416829D+00 -0.224087D+01 -0.492787D+01
      3   0.208053D+01  0.416829D+00  0.114838D+01 -0.444721D+01  0.130952D+01
                21            22            23            24            25 
      1  -0.444721D+01  0.533134D+01 -0.924149D+01  0.329545D+01 -0.103361D+02
      2   0.130952D+01 -0.924149D+01 -0.194162D+01 -0.531966D+00  0.257468D+01
      3  -0.762213D+00  0.329545D+01 -0.531966D+00  0.320756D+01 -0.807600D+00
                26            27            28            29            30 
      1   0.257468D+01 -0.807600D+00  0.646419D+02  0.626498D+01  0.453920D+01
      2  -0.134780D+01  0.305459D+01  0.626498D+01  0.371893D+01 -0.231783D+00
      3   0.305459D+01  0.382121D+01  0.453920D+01 -0.231783D+00  0.198764D+01
                31            32            33            34            35 
      1   0.138954D+02  0.741734D+01 -0.790832D+00  0.988278D+01 -0.827449D-01
      2   0.741734D+01  0.403651D+01 -0.187717D+00 -0.827449D-01  0.103708D+01
      3  -0.790832D+00 -0.187717D+00 -0.164121D+01  0.395752D+01 -0.182726D+01
                36            37            38            39            40 
      1   0.395752D+01 -0.599732D+02 -0.794215D+01 -0.594654D+01 -0.140079D+02
      2  -0.182726D+01 -0.794215D+01 -0.282692D+01  0.191972D+00 -0.524356D+01
      3  -0.203539D+01 -0.594654D+01  0.191972D+00 -0.598995D+00  0.286547D-01
                41            42            43            44            45 
      1  -0.524356D+01  0.286547D-01 -0.914016D+01 -0.164544D+00 -0.324144D+01
      2  -0.302404D+01 -0.244297D+00 -0.164544D+00 -0.122756D+01  0.276859D+01
      3  -0.244297D+00  0.302403D+01 -0.324144D+01  0.276859D+01  0.271132D+01
                46            47            48            49            50 
      1   0.435599D+02  0.813785D+01  0.642997D+01  0.114416D+02  0.198137D+01
      2   0.813785D+01  0.671608D+00  0.167425D+01  0.198137D+01  0.830657D+00
      3   0.642997D+01  0.167425D+01  0.649849D+00  0.264118D+01  0.732236D-01
                51            52            53            54            55 
      1   0.264118D+01  0.765167D+01  0.273326D+01  0.243446D+01 -0.391523D+02
      2   0.732236D-01  0.273326D+01  0.349171D+00 -0.161496D+01 -0.660306D+01
      3  -0.188362D+01  0.243446D+01 -0.161496D+01 -0.362181D+01 -0.595737D+01
                56            57            58            59            60 
      1  -0.660306D+01 -0.595737D+01 -0.154982D+02 -0.690121D+01 -0.154373D+01
      2  -0.202765D+01 -0.115451D+01 -0.690121D+01 -0.402427D+01 -0.210195D+01
      3  -0.115451D+01 -0.227213D+01 -0.154373D+01 -0.210195D+01 -0.292049D+00
                61            62            63            64            65 
      1  -0.225705D+02 -0.356155D+01 -0.610274D+01 -0.880592D+01  0.184163D+01
      2  -0.356155D+01 -0.126239D+01 -0.128514D+01  0.184163D+01  0.733053D+00
      3  -0.610274D+01 -0.128514D+01 -0.369162D+01 -0.341204D+01  0.425722D+01
                66            67            68            69            70 
      1  -0.341204D+01  0.194130D+01 -0.695796D+00  0.425145D+01 -0.922895D+01
      2   0.425722D+01 -0.695796D+00  0.306687D+01  0.356294D+01  0.434521D+01
      3   0.272055D+00  0.425145D+01  0.356294D+01 -0.136236D+01 -0.140493D+01
                71            72            73            74            75 
      1   0.434521D+01 -0.140493D+01 -0.693181D+01 -0.214115D+01 -0.188007D+01
      2   0.308357D+01 -0.407257D+00 -0.214115D+01  0.203240D+01 -0.501940D+00
      3  -0.407257D+00  0.167810D+01 -0.188007D+01 -0.501940D+00  0.295996D+01
                76            77            78            79            80 
      1  -0.198329D+01  0.240302D+01 -0.835156D+00  0.423106D+00 -0.240739D+00
      2   0.240302D+01  0.639235D+01  0.266071D+01 -0.240739D+00  0.243337D+01
      3  -0.835156D+00  0.266071D+01 -0.164952D+01  0.256874D+01 -0.279905D+01
                81            82            83            84            85 
      1   0.256874D+01  0.746315D+01  0.264698D+01  0.966728D+00  0.659458D+01
      2  -0.279905D+01  0.264698D+01  0.508114D+01  0.274224D+01  0.725078D+01
      3  -0.294386D+01  0.966728D+00  0.274224D+01 -0.351344D+01  0.182803D+01
                86            87            88            89            90 
      1   0.725078D+01  0.182803D+01  0.879326D+01  0.549232D+01 -0.392473D+01
      2  -0.188309D+01  0.630999D+00  0.549232D+01  0.560087D+00 -0.193738D+00
      3   0.630999D+00  0.286135D+00 -0.392473D+01 -0.193738D+00  0.377045D+00
                91            92            93            94            95 
      1   0.966717D+01  0.105377D+01 -0.301929D+01  0.225352D+01 -0.131924D+01
      2   0.105377D+01 -0.251878D+01 -0.223615D+00 -0.131924D+01 -0.412005D+01
      3  -0.301929D+01 -0.223615D+00 -0.331275D+01 -0.709273D+00 -0.133956D+01
                96            97            98            99           100 
      1  -0.709273D+00 -0.895625D+00 -0.555993D+00 -0.338119D+01  0.116181D+02
      2  -0.133956D+01 -0.555993D+00 -0.570944D+00  0.242889D+01  0.280973D+01
      3   0.265222D+01 -0.338119D+01  0.242889D+01  0.154955D+01  0.254337D+01
               101           102           103           104           105 
      1   0.280973D+01  0.254337D+01  0.110523D+01  0.157475D+01  0.276080D+00
      2   0.201181D+01  0.666736D+00  0.157475D+01  0.655196D+00  0.264114D+00
      3   0.666736D+00  0.143534D+01  0.276080D+00  0.264114D+00  0.306783D+00
               106           107           108           109           110 
      1   0.462699D+00  0.203469D+00  0.113807D+01 -0.171365D+00  0.555342D+00
      2   0.203469D+00 -0.136265D+00  0.658023D+00  0.555342D+00 -0.987612D+00
      3   0.113807D+01  0.658023D+00  0.105223D+01  0.101361D+01 -0.452597D+00
               111           112           113           114           115 
      1   0.101361D+01  0.172767D+00 -0.774832D-01  0.687144D-01  0.923219D+00
      2  -0.452597D+00 -0.774832D-01  0.751969D+00  0.963802D+00  0.430475D-01
      3  -0.217722D+01  0.687144D-01  0.963802D+00  0.143826D+01 -0.149815D+00
               116           117           118           119           120 
      1   0.430475D-01 -0.149815D+00 -0.183703D-01 -0.416432D+00 -0.609607D+00
      2   0.196611D+01  0.226369D+01 -0.416432D+00  0.329532D+00 -0.104660D+00
      3   0.226369D+01  0.765446D+01 -0.609607D+00 -0.104660D+00  0.256735D-01
               121           122           123           124           125 
      1  -0.222521D+01  0.334131D+00 -0.405320D-01 -0.101721D+01  0.761716D-01
      2   0.334131D+00 -0.790076D+00 -0.121766D+01  0.761716D-01 -0.122138D+01
      3  -0.405320D-01 -0.121766D+01 -0.178276D+01  0.448946D+00 -0.121231D+01
               126           127           128           129           130 
      1   0.448946D+00 -0.206227D+01  0.173929D+01 -0.105477D+00 -0.242666D+00
      2  -0.121231D+01  0.173929D+01 -0.453494D+01 -0.216882D+00 -0.199890D+01
      3  -0.704585D+01 -0.105477D+00 -0.216882D+00 -0.273739D+00 -0.291874D+00
               131           132           133           134           135 
      1  -0.199890D+01 -0.291874D+00  0.151126D+00 -0.651727D+00  0.248595D+00
      2   0.843334D+01  0.560455D-02 -0.651727D+00  0.166606D+01  0.118794D+01
      3   0.560455D-02  0.843107D+00  0.248595D+00  0.118794D+01  0.261319D+00
               136           137           138           139           140 
      1   0.329040D+01  0.170740D+01 -0.206458D+01 -0.569095D+00  0.899817D+00
      2   0.170740D+01  0.165492D+01 -0.152592D+01  0.899817D+00  0.219314D+01
      3  -0.206458D+01 -0.152592D+01  0.260376D+01 -0.104826D+01 -0.154057D+01
               141           142           143           144           145 
      1  -0.104826D+01 -0.511043D+01 -0.275451D+01  0.308613D+01  0.567802D+01
      2  -0.154057D+01 -0.275451D+01 -0.296811D+01  0.258273D+01 -0.258059D+01
      3   0.125416D+01  0.308613D+01  0.258273D+01 -0.469359D+01  0.346712D+01
               146           147           148           149           150 
      1  -0.258059D+01  0.346712D+01 -0.118182D+01  0.159040D+01 -0.134491D+01
      2   0.258435D+01 -0.230433D+01  0.159040D+01 -0.246045D+01  0.151511D+01
      3  -0.230433D+01  0.338695D+01 -0.134491D+01  0.151511D+01 -0.123921D+01
               151           152           153           154           155 
      1   0.209264D+01 -0.173723D+01  0.245470D+01 -0.122105D+01 -0.151147D+01
      2  -0.173723D+01  0.138785D+01 -0.197164D+01 -0.151147D+01 -0.251962D+01
      3   0.245470D+01 -0.197164D+01  0.385401D+01  0.137929D+00 -0.416008D+00
               156           157           158           159           160 
      1   0.137929D+00 -0.111780D+01 -0.148608D+01 -0.442615D+00 -0.430810D+00
      2  -0.416008D+00 -0.148608D+01 -0.698371D+01 -0.392988D+00 -0.759291D+00
      3  -0.523798D+00 -0.442615D+00 -0.392988D+00 -0.117897D+01 -0.296527D+00
               161           162           163           164           165 
      1  -0.759291D+00 -0.296527D+00 -0.337012D+01  0.718106D+00  0.203943D+01
      2  -0.272161D+01 -0.856719D+00  0.718106D+00 -0.109071D+01 -0.345557D+00
      3  -0.856719D+00 -0.736276D+00  0.203943D+01 -0.345557D+00 -0.243463D+01
               166           167           168           169           170 
      1   0.173224D+01 -0.985335D+00 -0.827940D+00  0.166391D+01 -0.703363D+00
      2  -0.985335D+00  0.635498D+00  0.381486D+00 -0.703363D+00  0.694051D+00
      3  -0.827940D+00  0.381486D+00  0.165683D+01 -0.199612D+01  0.291023D+00
               171           172           173           174           175 
      1  -0.199612D+01 -0.793570D-01 -0.696911D+00 -0.860863D-01 -0.142025D+01
      2   0.291023D+00 -0.696911D+00 -0.206606D+01 -0.131559D+01  0.469361D+00
      3   0.407925D+01 -0.860863D-01 -0.131559D+01 -0.117265D+01 -0.466510D-01
               176           177           178           179           180 
      1   0.469361D+00 -0.466510D-01 -0.107595D+00 -0.219525D+00  0.355518D+00
      2  -0.619567D+01 -0.299935D+01 -0.219525D+00 -0.280011D+01 -0.216286D+01
      3  -0.299935D+01 -0.216753D+01  0.355518D+00 -0.216286D+01 -0.261983D+01
               181           182           183           184           185 
      1   0.930652D+01 -0.322657D+01  0.167366D+01 -0.238473D+01  0.229094D+01
      2  -0.322657D+01  0.176205D+01 -0.838626D+00  0.229094D+01 -0.198642D+01
      3   0.167366D+01 -0.838626D+00  0.140975D+01 -0.768456D+00  0.177323D+00
               186           187           188           189           190 
      1  -0.768456D+00  0.642892D+01 -0.211831D+01  0.189515D+01  0.300620D+01
      2   0.177323D+00 -0.211831D+01  0.120370D+01 -0.720494D+00  0.682663D+00
      3  -0.441337D+00  0.189515D+01 -0.720494D+00  0.145179D+01 -0.135249D+01
               191           192           193           194           195 
      1   0.682663D+00 -0.135249D+01  0.209176D+01  0.832102D+00 -0.189677D+01
      2   0.605675D+00 -0.984921D+00  0.832102D+00  0.201662D+01 -0.174447D+01
      3  -0.984921D+00  0.151603D+01 -0.189677D+01 -0.174447D+01  0.257577D+01
               196           197           198           199           200 
      1  -0.171170D+01 -0.102284D+01  0.252373D+01  0.143642D+01  0.808060D+00
      2  -0.102284D+01 -0.181435D+01  0.143721D+01  0.808060D+00  0.137525D+00
      3   0.252373D+01  0.143721D+01 -0.444938D+01  0.120077D+01 -0.114977D+00
               201           202           203           204           205 
      1   0.120077D+01  0.159124D+01 -0.104669D+01  0.261213D+00  0.156215D+01
      2  -0.114977D+00 -0.104669D+01  0.626163D+00  0.109034D+01  0.458221D+00
      3  -0.454823D+00  0.261213D+00  0.109034D+01  0.154106D+01 -0.368349D+00
               206           207           208           209           210 
      1   0.458221D+00 -0.368349D+00 -0.827242D+00 -0.492138D+00 -0.905312D+00
      2   0.130163D+01  0.153814D+01 -0.492138D+00 -0.947867D-01 -0.653055D-01
      3   0.153814D+01  0.433996D+01 -0.905312D+00 -0.653055D-01 -0.708543D-01
               211           212           213           214           215 
      1  -0.989837D+00  0.110728D+00 -0.396949D+00 -0.172971D+01 -0.304130D+00
      2   0.110728D+00 -0.125193D+01 -0.152487D+01 -0.304130D+00 -0.160151D+01
      3  -0.396949D+00 -0.152487D+01 -0.249636D+01 -0.234801D+00 -0.221207D+01
               216           217           218           219           220 
      1  -0.234801D+00 -0.946691D+00  0.609055D+00  0.192982D+00  0.233867D+01
      2  -0.221207D+01  0.609055D+00  0.119472D+01  0.325541D+00 -0.321193D+00
      3  -0.712369D+01  0.192982D+00  0.325541D+00  0.104635D+01 -0.820865D+00
               221           222           223           224           225 
      1  -0.321193D+00 -0.820865D+00  0.116555D+01  0.155923D+00  0.183818D-03
      2   0.735651D+01  0.180018D+01  0.155923D+00  0.465190D+00  0.684429D+00
      3   0.180018D+01  0.193060D+01  0.183818D-03  0.684429D+00  0.762661D+00
               226           227           228           229           230 
      1   0.508785D+00 -0.952254D+00  0.950035D+00 -0.121739D+01  0.556116D+00
      2  -0.952254D+00  0.116362D+01 -0.443629D+00  0.556116D+00 -0.111357D+01
      3   0.950035D+00 -0.443629D+00  0.282246D+01 -0.127227D+00  0.165728D+01
               231           232           233           234           235 
      1  -0.127227D+00  0.294024D+01 -0.481457D+00  0.490098D+00 -0.102592D+02
      2   0.165728D+01 -0.481457D+00  0.148173D+01 -0.143220D+01  0.195093D+00
      3  -0.273814D+01  0.490098D+00 -0.143220D+01  0.509134D+01  0.333703D+01
               236           237           238           239           240 
      1   0.195093D+00  0.333703D+01 -0.719137D+00 -0.100930D+01  0.351616D+00
      2  -0.106827D+01 -0.596042D-01 -0.100930D+01  0.232449D+00  0.566499D+00
      3  -0.596042D-01 -0.207579D+01  0.351616D+00  0.566499D+00 -0.537598D+00
               241           242           243 
      1   0.187228D+01  0.714726D-01 -0.133070D+01
      2   0.714726D-01  0.258997D+00 -0.225975D+00
      3  -0.133070D+01 -0.225975D+00  0.112419D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.668928D+01  0.103196D+02  0.573129D+01  0.969405D+01  0.102927D+02
      2  -0.998795D+01  0.225404D+01  0.804606D+01  0.806843D+01 -0.962699D-01
      3  -0.385309D+01 -0.831831D+01  0.244429D+01 -0.810467D-01 -0.787885D+01
                 6             7             8             9            10 
      1  -0.234534D+01  0.613400D+01  0.522897D+01 -0.566699D+01  0.424510D+01
      2  -0.815050D+01  0.337815D+01 -0.815181D+01 -0.289605D+01  0.238337D+02
      3  -0.967246D+01  0.590859D+00 -0.123697D+02  0.103576D+01  0.112124D+02
                11            12            13            14            15 
      1  -0.560605D+01 -0.325440D+00 -0.687744D+01 -0.695824D+01 -0.528385D+01
      2  -0.934378D+01  0.456100D+01 -0.135863D+02 -0.422059D+01  0.193075D+00
      3  -0.199438D+01  0.844932D+01  0.735756D+01  0.140545D+02  0.111778D+02
                16            17            18            19            20 
      1   0.192514D+01  0.369516D+01 -0.317332D+00  0.267183D+01  0.269984D+01
      2   0.817729D+01  0.161691D+01  0.322136D+01 -0.350381D+02 -0.193689D+01
      3   0.115916D+02  0.112140D+02 -0.108234D+01 -0.181199D+02 -0.356944D+01
                21            22            23            24            25 
      1  -0.133926D+01  0.630039D+01  0.385552D+01 -0.257186D+01 -0.422414D+01
      2  -0.245343D+00  0.443139D+00 -0.744614D+01  0.562575D+01 -0.192969D+02
      3  -0.362321D+01  0.571431D+01 -0.741468D+01  0.254432D+01 -0.421434D+01
                26            27            28            29            30 
      1   0.409098D+01 -0.420313D+01 -0.909492D+01  0.106502D+01 -0.556790D+00
      2   0.320006D+01  0.110846D+01  0.367203D+02  0.613787D+01 -0.230019D+01
      3   0.863981D+00 -0.230978D+01  0.174761D+02  0.885291D+01 -0.323656D+00
                31            32            33            34            35 
      1   0.680822D+01 -0.370400D+00 -0.300600D+01 -0.329951D+01  0.251734D+01
      2   0.148392D+02  0.370036D+01 -0.521648D+00 -0.219542D+02 -0.191981D+01
      3   0.391290D+02  0.101797D+02  0.290318D+01 -0.112881D+01  0.392553D-01
                36            37            38            39            40 
      1   0.322515D+01  0.908575D+01 -0.287322D+01  0.133438D+01 -0.985678D+01
      2  -0.805556D+00 -0.246195D+02 -0.619041D+01  0.372929D+01 -0.145612D+02
      3   0.463339D+00 -0.237365D+02 -0.122674D+02 -0.217001D+00 -0.376723D+01
                41            42            43            44            45 
      1  -0.583633D+00 -0.480668D+00  0.979580D+01  0.204058D+01 -0.615840D+00
      2  -0.385997D+01 -0.533595D+01 -0.149317D+02 -0.709083D+01 -0.121106D+02
      3  -0.397669D+01  0.204426D+01  0.168579D+01  0.295529D+01  0.387550D+01
                46            47            48            49            50 
      1  -0.709968D+01  0.112891D+02 -0.888075D+00  0.375383D+01 -0.638531D+01
      2   0.604538D+01  0.605915D+01 -0.786692D+01  0.456916D+01  0.542192D+00
      3   0.159326D+02  0.177594D+02  0.678985D+00  0.254778D+02  0.592579D+01
                51            52            53            54            55 
      1  -0.148956D+02 -0.269109D+00 -0.243918D+01  0.957559D+01  0.436098D+01
      2  -0.736136D-01 -0.164830D+02  0.289806D+01  0.117062D+02 -0.879220D+01
      3  -0.366623D+01  0.129987D+00  0.550508D+00 -0.265644D+01 -0.130913D+02
                56            57            58            59            60 
      1  -0.314269D+01 -0.741547D+00  0.416656D+01  0.284313D+01  0.622095D+00
      2  -0.201514D+01  0.165971D+02 -0.612451D+01  0.181596D+01  0.535105D+01
      3  -0.191918D+02 -0.216689D+01 -0.148677D+02 -0.143530D+02 -0.405713D+01
                61            62            63            64            65 
      1   0.977684D+00  0.353269D+01 -0.295433D+01 -0.441976D+01  0.542812D+01
      2   0.349047D-01  0.946455D+00  0.112707D+02 -0.162689D+02  0.160651D+02
      3  -0.616826D+01 -0.917068D+01 -0.303609D+01  0.179073D+00 -0.638566D+01
                66            67            68            69            70 
      1  -0.527534D+01  0.756436D+01  0.235215D+01 -0.752105D+01 -0.836776D+01
      2  -0.731434D+00  0.150009D+02  0.127423D+02 -0.136002D-01 -0.154765D+02
      3  -0.112289D+02  0.545115D+01 -0.112884D+02 -0.188703D+02 -0.124917D+02
                71            72            73            74            75 
      1  -0.128564D+01  0.424024D+01 -0.127400D+01  0.521478D+01 -0.588474D+01
      2   0.379605D+01  0.681692D+01  0.690607D+01  0.250213D+01  0.137328D+02
      3  -0.170076D+02  0.317486D+01 -0.190476D+01 -0.134889D+02  0.289336D+00
                76            77            78            79            80 
      1   0.185702D+01  0.274010D+01  0.535248D+01 -0.431428D+01  0.100687D+02
      2   0.413753D+00  0.443771D+01 -0.546262D+01  0.565573D+01 -0.881924D+01
      3  -0.596827D+01 -0.152106D+02 -0.101737D+02  0.201677D+01 -0.915607D+01
                81            82            83            84            85 
      1   0.963283D-03 -0.305008D+01 -0.127815D+02  0.891259D+01 -0.135168D+02
      2  -0.126135D+02  0.788331D+01  0.587014D+01 -0.369525D+01  0.887903D+01
      3   0.132534D+02  0.910394D+00 -0.951506D+01 -0.426322D+01  0.434581D+01
                86            87            88            89            90 
      1   0.101703D+01 -0.412608D+01  0.893989D+01  0.249845D+01  0.275258D+00
      2   0.724314D+01  0.210141D+01 -0.250766D+01  0.377681D+01 -0.341613D+01
      3   0.172092D+02  0.484348D+01  0.219086D+00  0.113065D+02 -0.104080D+02
                91            92            93            94            95 
      1   0.205127D+01 -0.674770D+01  0.363166D+01  0.397889D+01 -0.788240D+01
      2   0.304569D+01 -0.677772D+00  0.206051D+02  0.822729D+00  0.940312D+01
      3   0.665638D+01 -0.112198D+02 -0.234527D+01  0.349665D+00 -0.159696D+02
                96            97            98            99           100 
      1  -0.105505D+02 -0.106185D+01  0.213596D+01  0.460627D+01 -0.979349D+00
      2  -0.112950D+02  0.925029D+01 -0.888641D+01 -0.311479D+00 -0.418409D+01
      3  -0.569159D+01 -0.187358D+01 -0.280488D+00  0.667797D+01  0.709772D+01
               101           102           103           104           105 
      1   0.190805D+01 -0.208135D+01  0.358506D+00 -0.148685D-01 -0.143082D+01
      2  -0.305534D+00  0.535416D+01 -0.713291D+00 -0.476208D+00  0.103937D+01
      3  -0.634208D+01  0.108569D+01 -0.990902D-01  0.333035D-01  0.487646D+00
               106           107           108           109           110 
      1  -0.101182D+01 -0.177308D-01 -0.727589D+00 -0.782699D+00 -0.169670D+01
      2   0.103831D+01  0.138824D+01  0.241272D+01  0.429314D+01 -0.185381D+01
      3   0.333222D+00  0.413275D+00 -0.476777D+00 -0.222530D+01  0.250971D+01
               111           112           113           114           115 
      1   0.276502D+01 -0.741308D+00 -0.753583D+00 -0.237236D+01  0.619353D+00
      2  -0.687807D+01 -0.843520D+00  0.324346D+01  0.379288D+01 -0.593093D+01
      3   0.253740D+01  0.234551D+01 -0.153395D+01 -0.232879D+01  0.229502D+01
               116           117           118           119           120 
      1   0.198547D+01 -0.774970D+01  0.407310D+00  0.542778D+00  0.718115D-01
      2   0.586237D+01  0.216605D+02 -0.179184D+01 -0.485973D+00  0.827737D+00
      3  -0.439207D+01 -0.647954D+01  0.504133D+00 -0.123366D+01 -0.306082D+00
               121           122           123           124           125 
      1   0.157885D+01  0.212563D+01  0.564621D+00 -0.335175D+00  0.494774D+01
      2  -0.180322D+01 -0.633645D+00 -0.202846D+01 -0.418465D+01 -0.989472D+00
      3   0.210163D+01  0.530883D+00  0.885776D+00 -0.204905D+00  0.374500D+00
               126           127           128           129           130 
      1   0.323043D+01 -0.704880D+00  0.358158D+01  0.221860D+01  0.180712D+01
      2  -0.629353D+01 -0.149808D+01  0.427193D+00  0.419570D+00 -0.934057D+00
      3   0.148067D+01 -0.897789D+01  0.100644D+02  0.349463D+00  0.946688D+01
               131           132           133           134           135 
      1  -0.526028D+01 -0.501190D+01 -0.175407D+00 -0.237422D+01 -0.171334D+01
      2  -0.139559D+01  0.849056D-01 -0.699853D+00  0.141595D+01  0.584867D+00
      3  -0.185140D+02 -0.414127D+00  0.211867D+01 -0.460772D+01 -0.160707D+01
               136           137           138           139           140 
      1   0.348347D+01  0.164349D+01 -0.609603D+01  0.162795D+01  0.174640D+01
      2  -0.197372D+00 -0.151713D+01  0.492281D+01 -0.222092D+01 -0.203982D+01
      3   0.393246D+01 -0.210862D+01 -0.143355D+01  0.372253D-01 -0.289830D+01
               141           142           143           144           145 
      1  -0.272716D+01 -0.580077D+01 -0.918390D+00  0.971770D+01  0.194610D+01
      2   0.225141D+01 -0.545395D+00  0.256071D+01 -0.604096D+01 -0.267827D+01
      3   0.420305D+00 -0.466665D+01  0.120490D+01  0.153448D+01 -0.419159D+01
               146           147           148           149           150 
      1   0.650011D+00  0.330993D+01 -0.542905D-01 -0.133195D+01 -0.163297D+01
      2  -0.102280D+01  0.358662D+01  0.208031D+01  0.688488D+00 -0.249641D+00
      3  -0.274059D+01 -0.699703D+00  0.192149D+01  0.263147D+01 -0.531009D-02
               151           152           153           154           155 
      1   0.143317D+01  0.624768D+00  0.429731D+01 -0.230695D+01 -0.499003D+01
      2  -0.268502D+01 -0.468678D+00  0.384848D+01  0.254577D+01  0.189073D+01
      3  -0.308318D+01 -0.138351D+00 -0.652474D+00  0.731663D+01  0.594805D+01
               156           157           158           159           160 
      1  -0.298844D+01 -0.338336D+01 -0.108674D+02 -0.549943D+01 -0.210482D+01
      2   0.693109D-01  0.142966D+01  0.311931D+01  0.791385D-01 -0.103742D+01
      3   0.782881D+00  0.750247D+01  0.141471D+02  0.129997D+01  0.340988D+01
               161           162           163           164           165 
      1  -0.385135D+01 -0.383199D+01  0.653869D+01 -0.470450D+01 -0.462121D+01
      2   0.473754D+00 -0.392562D-01  0.128066D+02 -0.255559D+01 -0.564435D+01
      3   0.624537D+01  0.215531D+01  0.608206D+01 -0.115019D+01 -0.344127D+01
               166           167           168           169           170 
      1  -0.459340D+01  0.319784D+01  0.184507D+01 -0.514498D+01  0.396077D+01
      2  -0.606465D+01  0.246581D+01  0.362235D+01 -0.916694D+01  0.209212D+01
      3   0.573980D-01  0.100863D+01  0.123934D+01 -0.337377D+01  0.187129D+01
               171           172           173           174           175 
      1   0.688092D+01  0.530499D+00  0.347232D+00 -0.111401D+01  0.890926D-01
      2   0.849055D+01 -0.183824D+01 -0.501246D+01 -0.293107D+01 -0.260938D+01
      3   0.346554D+01  0.446128D+01  0.671073D+01  0.439148D+01  0.299194D+01
               176           177           178           179           180 
      1   0.221520D+01 -0.291369D+01  0.668253D+00  0.146475D+01 -0.262217D+01
      2  -0.104336D+02 -0.756074D+01 -0.917355D+00 -0.759322D+01 -0.823198D+01
      3   0.202350D+02  0.103612D+02  0.229499D+01  0.103509D+02  0.727449D+01
               181           182           183           184           185 
      1   0.480698D+01 -0.214052D+01  0.366220D+01 -0.260507D+01  0.136655D+01
      2   0.118078D+02 -0.535000D+01  0.951305D+01 -0.439471D+01  0.200268D+01
      3  -0.438795D+00 -0.549259D+01  0.868823D+00 -0.269123D+01  0.502286D+01
               186           187           188           189           190 
      1  -0.186785D+01  0.317009D+01 -0.346930D+00  0.275436D+01 -0.255252D+01
      2  -0.336396D+01  0.837944D+01 -0.347345D+01  0.742514D+01 -0.195654D+01
      3   0.503478D+00  0.193529D+01 -0.292029D+01  0.352945D+00 -0.412418D+01
               191           192           193           194           195 
      1  -0.243906D+01  0.268847D+01 -0.245393D+01 -0.639071D+01  0.384040D+01
      2  -0.251077D+01  0.504430D+01 -0.318788D+01 -0.553636D+01  0.774055D+01
      3  -0.387413D+01  0.477177D+01 -0.305949D+01 -0.923673D+01  0.755659D+01
               196           197           198           199           200 
      1   0.375597D+01  0.635702D+01 -0.615893D+01  0.151654D+00 -0.405959D+00
      2   0.429818D+01  0.419013D+01 -0.130027D+02  0.384116D+00  0.238777D+00
      3   0.479490D+01  0.842749D+01 -0.717146D+01  0.923891D+00  0.551254D+00
               201           202           203           204           205 
      1   0.449158D+00 -0.426763D+01 -0.528913D+00 -0.232090D+01  0.159044D+01
      2  -0.178651D+00 -0.143634D+01 -0.155196D+01 -0.606240D+00 -0.270196D+01
      3   0.757440D+00  0.225212D+01 -0.146575D+00  0.157507D-01  0.184410D+01
               206           207           208           209           210 
      1   0.183941D+01 -0.342352D+01  0.824067D+00 -0.419558D+00 -0.654458D-01
      2   0.248065D+00 -0.230495D+01  0.996829D+00  0.567302D-01  0.102864D+01
      3   0.630617D+00 -0.151863D+00 -0.153262D+01 -0.817272D+00 -0.539803D+00
               211           212           213           214           215 
      1  -0.152626D+01  0.150163D+01 -0.395469D-02  0.463049D+00  0.409512D+01
      2   0.573112D-01  0.311872D+01  0.471438D+01 -0.376977D+01  0.412180D+01
      3   0.350595D+01 -0.199208D+01 -0.311615D+01 -0.712458D+00 -0.329259D+01
               216           217           218           219           220 
      1  -0.176774D+00 -0.294284D+00  0.263638D+01  0.557247D+00 -0.120351D+01
      2   0.129037D+02 -0.114155D+01 -0.258521D+01 -0.317601D+01 -0.262789D+00
      3  -0.474525D+01  0.218771D+01  0.439869D+01  0.142952D+01  0.102031D+01
               221           222           223           224           225 
      1   0.129122D+02  0.194533D+01  0.181493D+01  0.911329D+00  0.568775D+00
      2  -0.761825D+01 -0.518142D+01 -0.286829D+00 -0.218767D+01 -0.333401D+01
      3   0.260488D+02  0.651471D+01  0.192887D+01  0.132336D+01  0.241591D+01
               226           227           228           229           230 
      1  -0.568651D+00  0.265747D+01 -0.407739D+01 -0.309730D+00 -0.326143D+01
      2  -0.645410D+01  0.377721D+01 -0.125128D+02  0.272076D+01 -0.799319D+01
      3  -0.253198D+01  0.265080D+01 -0.160565D+01  0.126560D+01 -0.330561D+01
               231           232           233           234           235 
      1   0.463112D+01 -0.204343D+01  0.418297D+01 -0.617758D+01 -0.128666D+01
      2   0.112493D+02 -0.644435D+01  0.621332D+01 -0.203710D+02  0.163965D+01
      3   0.605231D+01 -0.949002D+00  0.413805D+01 -0.489333D+01 -0.391161D+01
               236           237           238           239           240 
      1  -0.203591D+01  0.722699D+00 -0.657050D+00  0.188281D+00 -0.722651D-01
      2   0.319008D+00  0.595561D+01 -0.581667D+00 -0.122170D+01  0.199784D+01
      3  -0.611329D+01  0.112107D+01 -0.238825D+01  0.464266D+00  0.160494D+01
               241           242           243 
      1   0.631969D+00  0.143248D+01 -0.797017D+00
      2  -0.563395D+00  0.100736D+01 -0.213726D+01
      3   0.167756D+01  0.142616D+01 -0.148970D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.106411D+02  0.619670D+01 -0.710390D+01  0.375565D+00  0.721865D+01
      2   0.101036D+01 -0.209925D+02 -0.494462D+01 -0.135928D+02 -0.187585D+02
      3  -0.116515D+02  0.147958D+02  0.120485D+02  0.132172D+02  0.115398D+02
      4   0.123090D+02 -0.608075D+01  0.239674D+02 -0.229564D+01  0.714805D+01
      5  -0.195061D+02  0.196818D+02 -0.146256D+02  0.190472D+02  0.401426D+01
      6   0.147321D+02 -0.134467D+02  0.128016D+02 -0.871515D+01 -0.406876D+01
                 6             7             8             9            10 
      1   0.218090D+02 -0.604693D+01  0.220129D+02 -0.191607D+01 -0.567897D+01
      2  -0.143516D+02 -0.765869D+01 -0.176205D+02  0.751914D+01  0.106875D+02
      3  -0.745738D+01  0.137056D+02 -0.439234D+01 -0.560307D+01 -0.500852D+01
      4  -0.666994D+01  0.243736D+02 -0.872899D+01  0.468649D+01 -0.171569D+02
      5   0.591957D+01 -0.140815D+02  0.101176D+02 -0.903785D+01  0.143770D+02
      6   0.521690D+01  0.112839D+02  0.356234D+01  0.118060D+01 -0.152475D+02
                11            12            13            14            15 
      1  -0.278283D+01  0.894036D+01 -0.693904D+01 -0.131076D+02 -0.243072D+02
      2   0.672845D+01 -0.646693D+00  0.474590D+01  0.165353D+02  0.872411D+01
      3  -0.394562D+01 -0.829366D+01  0.219314D+01 -0.342774D+01  0.155831D+02
      4   0.212711D+01 -0.231887D+02  0.393358D+01 -0.292087D+02 -0.777242D+01
      5  -0.193157D+02 -0.312160D+01 -0.224272D+02 -0.181963D+02  0.576627D+00
      6   0.109239D+02 -0.477509D+01 -0.300889D+01 -0.172639D+01 -0.781286D+01
                16            17            18            19            20 
      1   0.792645D+01 -0.226910D+02 -0.351094D+01  0.537632D+02  0.128619D+02
      2   0.785815D+01  0.125550D+02 -0.336591D+01 -0.507104D+02 -0.182650D+02
      3  -0.157846D+02  0.101361D+02  0.687685D+01 -0.305274D+01  0.540307D+01
      4  -0.342494D+02  0.546235D+00 -0.370945D+00  0.963953D+01 -0.128140D+02
      5  -0.567505D+01  0.102398D+01  0.307237D+01  0.174231D+02  0.638398D+01
      6  -0.598834D+01 -0.378213D+01  0.161497D+01  0.143400D+02 -0.924429D+00
                21            22            23            24            25 
      1   0.450500D+01  0.239215D+02  0.826964D+01  0.747062D+01  0.498558D+00
      2  -0.315269D+01 -0.219894D+02 -0.134711D+02  0.307397D+01 -0.688351D+01
      3  -0.135231D+01 -0.193206D+01  0.520143D+01 -0.105446D+02  0.638495D+01
      4   0.697650D+01 -0.347608D+02 -0.403489D+01 -0.237952D+01  0.176453D+02
      5   0.433395D+01  0.702313D+01  0.639275D+01  0.579560D+01  0.497902D+01
      6   0.377769D+01  0.879529D+01  0.819543D+01  0.402223D+00  0.424973D+01
                26            27            28            29            30 
      1   0.115537D+02  0.156015D+02 -0.134196D+03 -0.138576D+02 -0.402221D+01
      2  -0.330960D+01  0.650714D+01  0.920847D+02  0.921140D+01  0.458759D+01
      3  -0.824413D+01 -0.221086D+02  0.421118D+02  0.464615D+01 -0.565377D+00
      4  -0.713966D+01  0.101533D+02 -0.133269D+02 -0.110767D+02  0.504904D+00
      5   0.665441D+01  0.703886D+01 -0.374340D+02 -0.168298D+01 -0.140389D+02
      6  -0.525759D+00 -0.216444D+01 -0.193183D+02 -0.658688D+01  0.113020D+01
                31            32            33            34            35 
      1  -0.391668D+02 -0.264431D+02  0.377757D+01 -0.312337D+02 -0.788906D+00
      2   0.285946D+02  0.231428D+02 -0.372298D+01  0.185532D+02 -0.157749D+01
      3   0.105723D+02  0.330021D+01 -0.545882D-01  0.126805D+02  0.236639D+01
      4  -0.107053D+02 -0.106725D+02  0.990272D+00 -0.618711D+01  0.177531D+01
      5  -0.883088D+01 -0.493421D+01 -0.607941D+00 -0.106868D+02  0.183563D+01
      6  -0.682359D+01 -0.900665D+01  0.489798D+01 -0.134964D+01  0.141684D+01
                36            37            38            39            40 
      1  -0.116206D+02  0.180912D+03  0.304833D+02  0.198320D+02  0.338804D+02
      2   0.680521D+00 -0.111694D+03 -0.186392D+02 -0.124463D+02 -0.180735D+02
      3   0.109401D+02 -0.692177D+02 -0.118441D+02 -0.738570D+01 -0.158070D+02
      4   0.115695D+01  0.333101D+02  0.182192D+02 -0.331143D+00  0.323241D+02
      5   0.115550D+01  0.580617D+02  0.376505D+01  0.124425D+02  0.465251D+01
      6  -0.439482D+01  0.208558D+02  0.556658D+01 -0.108358D+01  0.982428D+01
                41            42            43            44            45 
      1   0.535774D+01  0.990422D+01  0.111227D+02  0.104051D+02  0.134316D+02
      2   0.178378D+01  0.194226D+01 -0.127574D+02 -0.392190D+01 -0.148303D+01
      3  -0.714152D+01 -0.118465D+02  0.163470D+01 -0.648324D+01 -0.119485D+02
      4   0.732814D+01  0.303094D+01 -0.779126D+01 -0.313740D+01 -0.103586D+02
      5   0.292445D+01 -0.122717D+02  0.161898D+02 -0.922623D+01 -0.124163D+02
      6   0.994230D+00  0.345023D+01  0.375165D-01  0.209207D+01 -0.101195D+02
                46            47            48            49            50 
      1  -0.171025D+03 -0.326640D+02 -0.400649D+02 -0.581210D+02 -0.173663D+02
      2   0.948626D+02  0.153722D+02  0.214314D+02  0.309459D+02  0.122786D+02
      3   0.761620D+02  0.172918D+02  0.186334D+02  0.271751D+02  0.508768D+01
      4  -0.561104D+02 -0.276773D+02 -0.110640D+02 -0.952789D+01 -0.912478D+01
      5  -0.782206D+02 -0.150171D+02 -0.268139D+02 -0.300597D+02 -0.192948D+01
      6  -0.207163D+02 -0.212722D+01 -0.577080D+01 -0.151266D-01 -0.545302D+01
                51            52            53            54            55 
      1  -0.121941D+02 -0.530316D+02 -0.135793D+02 -0.166059D+02  0.196694D+03
      2   0.109700D+02  0.203868D+02  0.202986D+01  0.146175D+02 -0.104028D+03
      3   0.122417D+01  0.326448D+02  0.115494D+02  0.198844D+01 -0.926664D+02
      4  -0.502086D+00 -0.242403D+02  0.219019D+01  0.806237D+01  0.500828D+02
      5   0.747758D+01 -0.250487D+02  0.834558D+01  0.241291D+02  0.737523D+02
      6   0.213570D+01  0.293467D+01 -0.560138D+01 -0.538064D+01  0.121296D+02
                56            57            58            59            60 
      1   0.324324D+02  0.382658D+02  0.637089D+02  0.302358D+02  0.488881D+01
      2  -0.127801D+02 -0.253605D+02 -0.286803D+02 -0.747692D+01 -0.127119D+01
      3  -0.196523D+02 -0.129054D+02 -0.350286D+02 -0.227589D+02 -0.361762D+01
      4   0.341003D+02  0.982898D+01  0.565144D+02  0.351255D+02  0.168292D+02
      5   0.121552D+02  0.377635D+02  0.214181D+02  0.186259D+02  0.761539D+01
      6   0.653302D+01  0.538142D+01  0.115828D+02  0.909136D+01  0.993144D+01
                61            62            63            64            65 
      1   0.968137D+02  0.124369D+02  0.276076D+02 -0.325985D+02  0.166564D+02
      2  -0.590950D+02 -0.535936D+01 -0.255090D+02  0.992555D+01 -0.555063D+01
      3  -0.377186D+02 -0.707751D+01 -0.209859D+01  0.226729D+02 -0.111057D+02
      4   0.246675D+02  0.130448D+02  0.102893D+02  0.203845D+02 -0.114626D+01
      5   0.678899D+02  0.126240D+02  0.380242D+02 -0.202152D+02  0.257995D+02
      6   0.116534D+02  0.105531D+02  0.589386D+01  0.115261D+02 -0.118309D+02
                66            67            68            69            70 
      1  -0.161088D+02  0.921332D+01  0.102912D+02  0.359545D+02 -0.271007D+02
      2  -0.960267D+00  0.196766D+01 -0.726427D+01 -0.266379D+02  0.147336D+01
      3   0.170690D+02 -0.111810D+02 -0.302693D+01 -0.931657D+01  0.256273D+02
      4   0.309051D+02 -0.736563D+01  0.123315D+02  0.113441D+02  0.380206D+02
      5   0.112345D+01  0.261954D+02  0.167365D+02 -0.133096D+02 -0.299749D+01
      6  -0.503866D+01 -0.783470D+01 -0.129980D+02 -0.629206D+01 -0.293104D+01
                71            72            73            74            75 
      1   0.367013D+02 -0.554373D+01 -0.522827D+02 -0.193856D+02 -0.146790D+02
      2  -0.274114D+02  0.620525D+01  0.223754D+02  0.890138D+01 -0.236644D+01
      3  -0.928988D+01 -0.661521D+00  0.299073D+02  0.104842D+02  0.170454D+02
      4   0.723760D+01 -0.450693D+01 -0.262101D+02  0.624618D+00 -0.386442D+01
      5  -0.893110D+01  0.106531D+02 -0.189537D+02 -0.446237D+01  0.100553D+02
      6  -0.730803D+01 -0.243054D+00 -0.409634D+01 -0.424478D+01  0.844301D+01
                76            77            78            79            80 
      1  -0.156385D+02  0.915452D+01 -0.296042D+01 -0.353448D+01 -0.176651D+01
      2   0.118164D+02 -0.233890D+01  0.115937D+02 -0.574237D+01  0.818934D+01
      3   0.382209D+01 -0.681562D+01 -0.863332D+01  0.927685D+01 -0.642282D+01
      4   0.873967D+01  0.306262D+02  0.120388D+02 -0.405077D+00  0.325460D+01
      5  -0.665173D+01  0.193333D+02 -0.841912D+01  0.125975D+02 -0.100593D+02
      6   0.502620D+01  0.999117D+01 -0.181306D+01  0.628831D+01 -0.404428D+01
                81            82            83            84            85 
      1   0.233906D+02 -0.124318D+02 -0.142191D+02 -0.854021D+01 -0.164793D+02
      2  -0.518158D+01  0.181778D+02  0.322934D+02  0.111312D+02  0.289317D+02
      3  -0.182090D+02 -0.574595D+01 -0.180743D+02 -0.259100D+01 -0.124524D+02
      4  -0.560935D+01  0.670448D+01  0.994225D+01  0.964460D+01  0.235067D+02
      5  -0.881202D+01  0.387048D+00  0.950838D+01 -0.183058D+02  0.838879D+01
      6  -0.997036D+01  0.396688D+00  0.910502D+01 -0.164437D+02  0.201282D+01
                86            87            88            89            90 
      1   0.128979D+02  0.711899D+01 -0.305653D+02  0.713990D+01 -0.122429D+02
      2  -0.141042D+02 -0.606360D+01  0.297569D+02 -0.490668D+01  0.911603D+01
      3   0.120624D+01 -0.105539D+01  0.808336D+00 -0.223322D+01  0.312690D+01
      4   0.112006D+02  0.643845D+01  0.177803D+02  0.125896D+02 -0.113859D+02
      5  -0.181030D+01  0.166209D+00 -0.270625D+02 -0.717915D+01  0.475530D+01
      6  -0.433821D+01 -0.134937D+01 -0.212437D+02 -0.429021D+01  0.648890D+01
                91            92            93            94            95 
      1  -0.616435D+02 -0.320938D+01  0.361991D+02 -0.120180D+02  0.241333D+02
      2   0.376192D+02 -0.427447D+01 -0.101312D+02  0.463897D+01 -0.193605D+02
      3   0.240243D+02  0.748385D+01 -0.260679D+02  0.737898D+01 -0.477276D+01
      4  -0.249128D+01  0.172246D+02  0.178927D+01  0.918255D+01  0.242076D+02
      5   0.317253D+02  0.349967D+01  0.129757D+02  0.783709D+01  0.381628D+01
      6   0.226158D+01 -0.797168D+01  0.131373D+01 -0.412402D+01 -0.112353D+02
                96            97            98            99           100 
      1  -0.211602D+01  0.187872D+02 -0.454206D+01  0.160873D+02  0.850948D+02
      2  -0.121494D+02 -0.292057D+01 -0.416705D+01 -0.983797D+01 -0.410511D+02
      3   0.142654D+02 -0.158666D+02  0.870911D+01 -0.624934D+01 -0.440437D+02
      4   0.661926D+01  0.440124D+01  0.607932D+00 -0.156466D+02  0.379375D+02
      5  -0.146542D+02  0.170884D+02 -0.137038D+02 -0.176218D+02  0.268461D+02
      6  -0.438262D+01 -0.162016D+01  0.249633D+01  0.126749D+02  0.832559D+01
               101           102           103           104           105 
      1   0.166915D+02  0.142539D+02  0.682737D+01  0.712997D+01  0.112815D+01
      2  -0.465915D+01 -0.850945D+01  0.655565D-01  0.811688D+00 -0.126955D+01
      3  -0.120324D+02 -0.574446D+01 -0.689292D+01 -0.794166D+01  0.141399D+00
      4   0.209835D+02  0.830204D+01  0.169233D+02  0.788455D+01  0.296188D+01
      5   0.703262D+01  0.149403D+02  0.345155D+01  0.224238D+01  0.224873D+01
      6   0.478368D+01  0.448240D+01  0.331809D+01  0.490645D+00  0.296178D+01
               106           107           108           109           110 
      1   0.297869D+01  0.969593D+00  0.503207D+01  0.929588D+00  0.597174D+01
      2  -0.290036D+01 -0.254658D+01 -0.470817D+01 -0.251167D+01 -0.341505D+01
      3  -0.783258D-01  0.157699D+01 -0.323900D+00  0.158208D+01 -0.255669D+01
      4   0.243684D+01 -0.247489D-01  0.553097D+01  0.234311D+01 -0.192860D+01
      5   0.119485D+02  0.462848D+01  0.690299D+01  0.316078D+01 -0.343373D-01
      6   0.347804D+01  0.278672D+01  0.357308D+01  0.373882D+01 -0.341230D+01
               111           112           113           114           115 
      1   0.108663D+02  0.257446D+01 -0.750937D+01 -0.486491D+01  0.767442D+01
      2   0.171092D-01 -0.182142D+01  0.342890D+01  0.197928D+01 -0.372267D+01
      3  -0.108835D+02 -0.753036D+00  0.408047D+01  0.288563D+01 -0.395175D+01
      4   0.106946D+01  0.219952D+01  0.182203D+01  0.347711D+01  0.364204D+01
      5  -0.417536D+01  0.172112D+01  0.227970D+01  0.561341D+01  0.495182D+01
      6  -0.628870D+01 -0.861369D+00  0.623134D+01  0.112838D+02  0.816762D+00
               116           117           118           119           120 
      1  -0.793489D+01 -0.243886D+02  0.670629D+00  0.170326D+00 -0.185090D+01
      2   0.122224D+01 -0.894813D+01 -0.423747D+01 -0.357175D+00 -0.312277D+00
      3   0.671265D+01  0.333367D+02  0.356684D+01  0.186850D+00  0.216318D+01
      4   0.837321D+01  0.849983D+01 -0.987788D+00  0.299272D+01  0.660209D+00
      5   0.979629D+01  0.298592D+02 -0.269498D+00  0.158509D+01  0.733363D+01
      6   0.117793D+02  0.227364D+02  0.146162D+01  0.294531D+00 -0.544796D-01
               121           122           123           124           125 
      1   0.162213D+01 -0.718677D+01 -0.552895D+01 -0.112341D+01 -0.269280D+01
      2  -0.102736D+01  0.227242D+01 -0.230969D+01  0.143921D+01 -0.276806D+01
      3  -0.594767D+00  0.491435D+01  0.783863D+01 -0.315805D+00  0.546086D+01
      4   0.178408D+01 -0.285432D+01 -0.221809D+01 -0.788747D-01 -0.261623D+01
      5   0.194038D+01 -0.242056D+01 -0.366119D+01  0.539525D+01 -0.266901D+01
      6   0.478258D-01  0.207809D+01  0.725126D+01 -0.783199D+00  0.574065D+01
               126           127           128           129           130 
      1  -0.248477D+02 -0.725341D+01  0.205861D+02  0.778518D+00  0.116559D+02
      2  -0.129394D+02  0.983747D+01 -0.292741D+02 -0.153318D+01 -0.149204D+02
      3   0.377871D+02 -0.258406D+01  0.868803D+01  0.754666D+00  0.326443D+01
      4  -0.444274D+01 -0.445558D+01  0.238534D+01 -0.567596D+00  0.630391D+01
      5  -0.124614D+02  0.668996D+00 -0.776134D+00  0.162499D+01 -0.781368D+00
      6   0.221048D+01  0.259221D+00  0.239212D+00 -0.203854D+01  0.515712D+00
               131           132           133           134           135 
      1  -0.366060D+02 -0.256543D+00  0.452311D+01 -0.663872D+01 -0.430854D+01
      2   0.567098D+02  0.137693D+01 -0.408944D+01  0.102059D+02  0.525301D+01
      3  -0.201039D+02 -0.112039D+01 -0.433665D+00 -0.356715D+01 -0.944470D+00
      4   0.851656D+01 -0.509529D+00  0.199182D+00  0.181844D+01  0.219438D+01
      5   0.215917D+00  0.212442D+01  0.374609D+01  0.261323D+01  0.924947D-01
      6  -0.988133D+00  0.743418D+01  0.963007D+00  0.887518D+01  0.140681D+01
               136           137           138           139           140 
      1   0.114137D+02  0.124055D+01 -0.251875D+01  0.362788D+01 -0.540694D+01
      2  -0.467341D+01  0.195530D+01  0.645974D+00 -0.962529D+00  0.957971D+01
      3  -0.674027D+01 -0.319584D+01  0.187277D+01 -0.266535D+01 -0.417277D+01
      4   0.178299D+02  0.146655D+02 -0.119457D+02  0.107766D+02  0.115743D+02
      5  -0.179368D+02 -0.103764D+02  0.184992D+02 -0.574637D+01 -0.897598D+01
      6  -0.109714D+02 -0.935951D+01  0.126978D+02 -0.668598D+01 -0.105513D+02
               141           142           143           144           145 
      1   0.273555D+01  0.160519D+01  0.697203D+01 -0.635372D+01  0.145577D+02
      2  -0.429485D+01 -0.214012D+01 -0.760433D+01 -0.211078D+01 -0.101640D+02
      3   0.155929D+01  0.534938D+00  0.632297D+00  0.846450D+01 -0.439376D+01
      4  -0.926101D+01 -0.182140D+02 -0.159825D+02  0.161737D+02 -0.256881D+02
      5   0.796593D+01  0.220959D+02  0.149450D+02 -0.256934D+02  0.277724D+02
      6   0.100719D+02  0.168667D+02  0.174838D+02 -0.235823D+02 -0.143024D+02
               146           147           148           149           150 
      1  -0.147449D+01  0.229389D+01 -0.850286D+00 -0.365932D+01  0.180445D+01
      2  -0.791197D+00 -0.638737D+01 -0.671220D+00  0.747747D+01 -0.151891D+01
      3   0.226568D+01  0.409349D+01  0.152151D+01 -0.381814D+01 -0.285535D+00
      4   0.197418D+02 -0.175289D+02  0.135753D+02 -0.141657D+02  0.104584D+02
      5  -0.151273D+02  0.247310D+02 -0.919850D+01  0.930888D+01 -0.848407D+01
      6   0.134291D+02 -0.149413D+02  0.908487D+01 -0.110457D+02  0.103751D+02
               151           152           153           154           155 
      1   0.377346D+01  0.208403D+01 -0.347436D+01 -0.631133D+01 -0.113487D+02
      2  -0.641974D+01  0.259220D+00 -0.776296D+01  0.791858D+01  0.172885D+02
      3   0.264628D+01 -0.234325D+01  0.112373D+02 -0.160725D+01 -0.593975D+01
      4  -0.142529D+02  0.105802D+02 -0.138603D+02  0.191398D+01  0.316651D+01
      5   0.204692D+02 -0.120807D+02  0.229606D+02 -0.102307D+01 -0.459528D+01
      6  -0.115091D+02  0.117525D+02 -0.165534D+02 -0.153357D+01 -0.185963D+01
               156           157           158           159           160 
      1   0.966754D+00 -0.674231D+01 -0.260448D+02 -0.119333D+01 -0.234922D+01
      2   0.236576D+01  0.105183D+02  0.429077D+02  0.559358D+01  0.384536D+01
      3  -0.333251D+01 -0.377603D+01 -0.168629D+02 -0.440025D+01 -0.149614D+01
      4  -0.128747D+01  0.459851D+01 -0.947859D+01  0.953137D+00  0.428225D-01
      5   0.831375D+00 -0.472118D+01 -0.498669D+01 -0.388084D+01  0.607529D+00
      6   0.185109D+01 -0.346349D+00 -0.652240D+01  0.611930D+01  0.269657D+00
               161           162           163           164           165 
      1  -0.972022D+01 -0.359658D+01 -0.697416D+01 -0.261222D+01  0.112213D+02
      2   0.156943D+02  0.469911D+01 -0.478096D+01  0.630925D+01  0.429091D+01
      3  -0.597413D+01 -0.110252D+01  0.117551D+02 -0.369703D+01 -0.155122D+02
      4  -0.396361D+01 -0.108735D+01  0.651814D+01 -0.120669D+01 -0.592195D+01
      5  -0.358912D+01 -0.197860D+01 -0.401090D+01 -0.874501D+00  0.308862D+01
      6   0.395109D+01  0.359391D+01 -0.236604D+01 -0.228694D+01  0.413411D+01
               166           167           168           169           170 
      1   0.208573D+01 -0.295759D+01 -0.702691D+01  0.894755D+01 -0.227726D+01
      2   0.358953D+01  0.218213D+00 -0.190705D+01  0.428379D+01 -0.192165D+01
      3  -0.567526D+01  0.273937D+01  0.893396D+01 -0.132313D+02  0.419891D+01
      4  -0.254528D+01  0.268561D+01  0.195808D+01 -0.733176D+01  0.258905D+01
      5  -0.253138D+00 -0.816406D+00  0.237714D+01  0.560633D+01 -0.169856D+01
      6  -0.189326D+01  0.295510D+01  0.100458D+01  0.146208D+01  0.381107D+01
               171           172           173           174           175 
      1  -0.155141D+02 -0.234322D+01 -0.128652D+02 -0.576303D+01 -0.925544D+01
      2  -0.896445D+01  0.278784D+01  0.105740D+02  0.321215D+01  0.354924D+01
      3   0.244785D+02 -0.444615D+00  0.229113D+01  0.255088D+01  0.570620D+01
      4   0.436850D+01 -0.129454D+01 -0.440554D+01 -0.475769D+01  0.813138D+01
      5   0.208460D+01  0.183396D+01 -0.400366D+01 -0.297918D+01  0.225855D+01
      6  -0.639258D+01  0.156901D+01  0.705880D+01  0.550719D+01 -0.706669D+00
               176           177           178           179           180 
      1  -0.229698D+02 -0.140370D+02 -0.242144D+01 -0.146875D+02 -0.103665D+02
      2   0.270408D+02  0.103322D+02  0.214171D+01  0.101693D+02  0.334680D+01
      3  -0.407102D+01  0.370476D+01  0.279735D+00  0.451812D+01  0.701974D+01
      4  -0.299066D+02 -0.142929D+02  0.775707D-01 -0.136409D+02 -0.978513D+01
      5  -0.144739D+02 -0.108714D+02  0.489037D+01 -0.980149D+01 -0.134652D+02
      6   0.212986D+02  0.154110D+02 -0.216590D+00  0.151458D+02  0.134957D+02
               181           182           183           184           185 
      1   0.734421D+02 -0.196280D+02  0.137593D+02 -0.171244D+02  0.913390D+01
      2  -0.296447D+02  0.365653D+01 -0.365369D+01  0.156534D+01  0.140693D+01
      3  -0.437974D+02  0.159714D+02 -0.101056D+02  0.155591D+02 -0.105408D+02
      4  -0.394269D+02  0.209651D+02 -0.879759D+01  0.236189D+02 -0.177421D+02
      5   0.813682D+01 -0.416339D+01  0.126618D+02 -0.381553D+01  0.114769D+01
      6  -0.352112D+01  0.150429D+01 -0.378009D+01  0.133020D+01  0.212703D+00
               186           187           188           189           190 
      1  -0.561586D+01  0.329874D+02 -0.106754D+02  0.116329D+02  0.189502D+02
      2   0.153012D+01 -0.113042D+02  0.238328D+01 -0.540054D+01 -0.132205D+02
      3   0.408574D+01 -0.216832D+02  0.829211D+01 -0.623233D+01 -0.572968D+01
      4   0.382906D+01 -0.224012D+02  0.124062D+02 -0.764528D+01  0.188096D+01
      5  -0.306984D+01  0.138180D+02 -0.465740D+01  0.114067D+02 -0.140571D+02
      6   0.383084D+01 -0.491301D+01  0.380008D+01 -0.476823D+01 -0.139777D+01
               191           192           193           194           195 
      1   0.445541D+01 -0.912006D+01  0.142505D+02  0.343032D+01 -0.992424D+01
      2  -0.490073D+01  0.103204D+02 -0.116651D+02 -0.501672D+01  0.130482D+02
      3   0.445315D+00 -0.120038D+01 -0.258536D+01  0.158639D+01 -0.312393D+01
      4   0.596130D+01 -0.605076D+01  0.623710D+01  0.131358D+02 -0.963631D+01
      5  -0.846573D+01  0.153237D+02 -0.156514D+02 -0.115779D+02  0.186772D+02
      6  -0.193249D+00  0.209365D+00 -0.256815D+00 -0.338635D+01  0.289847D+01
               196           197           198           199           200 
      1  -0.111265D+02 -0.665927D+01  0.808957D+01 -0.380973D-01 -0.186489D+01
      2   0.138629D+02  0.102202D+02 -0.191541D+02  0.158654D+01  0.169873D+01
      3  -0.273645D+01 -0.356091D+01  0.110645D+02 -0.154844D+01  0.166165D+00
      4  -0.565124D+01 -0.104634D+02  0.731998D+01 -0.101762D+01  0.147944D+01
      5   0.220527D+02  0.109847D+02 -0.325258D+02 -0.336390D+01  0.106116D+01
      6  -0.573447D+00  0.491038D+01  0.742904D+00  0.619155D+00  0.590621D-01
               201           202           203           204           205 
      1  -0.199450D+01 -0.219058D+01 -0.246775D+00 -0.451935D+01 -0.291529D+01
      2   0.176741D+01 -0.167853D+01  0.627407D+00  0.252767D+01  0.249335D+01
      3   0.227092D+00  0.386911D+01 -0.380632D+00  0.199168D+01  0.421945D+00
      4   0.188474D+01  0.859830D+00 -0.941911D+00 -0.225649D+01  0.225788D+01
      5   0.392091D+01  0.463965D+00 -0.706295D+00 -0.183219D+01  0.328213D+01
      6  -0.269496D+00 -0.661526D+00  0.338846D+01  0.288203D+01  0.612282D-01
               206           207           208           209           210 
      1  -0.511341D+01 -0.770931D+01 -0.387291D+00  0.898190D+00  0.236789D+01
      2   0.390848D+01  0.171309D+01 -0.201070D+01 -0.484961D+00 -0.685576D+00
      3   0.120493D+01  0.599621D+01  0.239799D+01 -0.413229D+00 -0.168231D+01
      4  -0.206144D+01 -0.395023D+01  0.141843D+01  0.206200D+01  0.209435D+01
      5  -0.320628D+01 -0.684177D+01  0.272712D+01  0.240176D+01  0.705322D+01
      6   0.415045D+01  0.655895D+01  0.207198D+01  0.442835D-01  0.728382D+00
               211           212           213           214           215 
      1   0.220152D+01 -0.649923D+01 -0.860810D+01  0.342103D+01 -0.820094D+01
      2  -0.320736D+01  0.156229D+01 -0.194359D+00 -0.283812D+01  0.915822D+00
      3   0.100585D+01  0.493694D+01  0.880246D+01 -0.582917D+00  0.728512D+01
      4  -0.447624D+00  0.341422D+01  0.428137D+01  0.235085D+01  0.424650D+01
      5   0.294915D+01  0.520768D+01  0.898283D+01  0.464932D+01  0.714424D+01
      6  -0.540032D+00  0.539696D+01  0.690891D+01  0.150902D+01  0.801769D+01
               216           217           218           219           220 
      1  -0.250681D+02  0.333364D+01 -0.839887D+01 -0.603514D+01 -0.104781D+02
      2  -0.647524D+01 -0.124213D+00  0.674342D+01  0.173237D+01  0.501458D+01
      3   0.315434D+02 -0.320942D+01  0.165544D+01  0.430277D+01  0.546348D+01
      4   0.596509D+01 -0.285156D+01 -0.357533D+01 -0.134128D+01  0.722581D+01
      5   0.232739D+02 -0.965436D+00  0.234240D+00 -0.406824D+01  0.811890D+01
      6   0.997914D+01  0.186459D+01  0.402293D+01  0.182397D+01 -0.201604D+01
               221           222           223           224           225 
      1  -0.211085D+02 -0.412287D+01 -0.463377D+01 -0.298531D+01 -0.669270D+01
      2   0.284923D+02  0.293479D+01  0.254265D+01  0.260233D-01  0.204980D+01
      3  -0.738376D+01  0.118808D+01  0.209112D+01  0.295928D+01  0.464290D+01
      4  -0.447956D+02 -0.114072D+02 -0.135504D+01 -0.254214D+01 -0.358031D+01
      5  -0.879765D+01 -0.120390D+02  0.142864D+01 -0.340548D+01 -0.379519D+01
      6   0.206615D+02  0.103814D+02  0.127382D-01  0.684824D+01  0.258064D+01
               226           227           228           229           230 
      1  -0.486964D+01  0.666884D+01 -0.165530D+02  0.790333D+01 -0.117381D+02
      2  -0.899638D+00 -0.110786D+01 -0.472839D+00 -0.389837D+01  0.414659D+01
      3   0.576928D+01 -0.556099D+01  0.170259D+02 -0.400496D+01  0.759153D+01
      4   0.404242D+01 -0.571607D+01  0.148324D+01 -0.121331D+01  0.488665D+01
      5  -0.490994D+00 -0.564873D-01 -0.973331D+01 -0.315652D+01 -0.686008D+01
      6  -0.269183D+01  0.449924D+01 -0.292796D+01  0.167546D+01 -0.569384D+01
               231           232           233           234           235 
      1   0.956232D+01 -0.168617D+02  0.768414D+01 -0.227521D+02  0.859373D+02
      2   0.361058D+01  0.612341D+01  0.157928D+01 -0.788281D+01 -0.482762D+02
      3  -0.131729D+02  0.107383D+02 -0.926342D+01  0.306349D+02 -0.376611D+02
      4  -0.862504D+01  0.377946D+01 -0.870559D+01  0.729323D+01 -0.775913D+01
      5   0.136763D+02  0.289549D+01  0.593639D+01 -0.233474D+02 -0.455003D+02
      6   0.951151D+01 -0.189139D+01  0.697663D+01 -0.653986D+01  0.107613D-01
               236           237           238           239           240 
      1  -0.951575D+00 -0.233289D+02  0.612970D+01  0.642888D+01 -0.185872D+01
      2  -0.265936D+00  0.167772D+02 -0.370449D+01 -0.229514D+01  0.241450D+01
      3   0.121751D+01  0.655171D+01 -0.242522D+01 -0.413374D+01 -0.555774D+00
      4   0.117384D+02  0.200689D+01  0.111559D+02 -0.142346D+01 -0.475440D+01
      5   0.313376D+00  0.248268D+02 -0.417237D+01 -0.575999D+01  0.388412D+01
      6  -0.381947D+01 -0.869584D+00 -0.379891D+01  0.498990D+00  0.295761D+01
               241           242           243 
      1  -0.113988D+02  0.134558D-01  0.852734D+01
      2   0.104279D+02  0.776095D+00 -0.909540D+01
      3   0.970880D+00 -0.789550D+00  0.568064D+00
      4   0.482898D+00 -0.225326D+01  0.535547D+00
      5   0.176995D+02  0.109623D+01 -0.124872D+02
      6  -0.132898D+01  0.215397D+01 -0.151581D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.166789D+01      0.423937D+01      0.141410D+02
   x          0.146430D+01      0.372188D+01      0.124149D+02
   y          0.466288D+00      0.118519D+01      0.395335D+01
   z          0.648282D+00      0.164777D+01      0.549637D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124177D+03      0.184011D+02      0.204740D+02
   aniso      0.563618D+02      0.835196D+01      0.929281D+01
   xx         0.160415D+03      0.237711D+02      0.264489D+02
   yx         0.622842D+01      0.922956D+00      0.102693D+01
   yy         0.104663D+03      0.155094D+02      0.172565D+02
   zx         0.405451D+01      0.600816D+00      0.668498D+00
   zy         0.409679D+01      0.607081D+00      0.675469D+00
   zz         0.107452D+03      0.159228D+02      0.177165D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.135717D+03      0.201111D+02      0.223767D+02
   aniso      0.668752D+02      0.990988D+01      0.110262D+02
   xx         0.178729D+03      0.264850D+02      0.294685D+02
   yx         0.753821D+01      0.111705D+01      0.124288D+01
   yy         0.112753D+03      0.167082D+02      0.185904D+02
   zx         0.492515D+01      0.729831D+00      0.812047D+00
   zy         0.447053D+01      0.662464D+00      0.737090D+00
   zz         0.115668D+03      0.171403D+02      0.190711D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.27836191         -3.61710130          2.61046671
     6          1.50951590         -1.44398806          3.17764798
     6          1.77072531          0.70961947          1.11459093
     6         -0.32890338          0.86031149         -0.73141950
     6         -0.06501574          0.70888235         -3.23649688
     6         -2.14640079          0.84296564         -5.08775533
     8         -1.69388729          0.66987955         -7.33592982
     6          4.11513983         -2.44159599          3.89381125
     6          0.56016011          0.58879065          5.07141817
     6          1.55925238          2.67737994          3.29639630
     6         -4.83217440          1.18934480         -4.15633898
     1          1.34309249          0.50964838          6.97579973
     1         -1.49629311          0.60526589          5.21509600
     1          3.57383253          0.67817144          0.11660387
     1          0.31849597          4.28234775          2.94631595
     1          3.40403005          3.39551635          3.85696480
     1         -0.42718505         -4.86371366          4.25049697
     1          0.39998526         -4.74254338          1.01799543
     1         -2.17620762         -2.95726272          2.15202005
     1          4.91709408         -3.56395206          2.35761727
     1          3.99411432         -3.64399252          5.56831993
     1          5.42972759         -0.90739559          4.31140581
     1         -2.20827758          1.11578711          0.05396006
     1          1.78910303          0.46224388         -4.07681973
     1         -5.01717245          2.93836448         -3.07718033
     1         -5.38487775         -0.36572568         -2.91735034
     1         -6.09195916          1.25054972         -5.77772562

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.166789D+01      0.423937D+01      0.141410D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.166789D+01      0.423937D+01      0.141410D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124177D+03      0.184011D+02      0.204740D+02
   aniso      0.563618D+02      0.835196D+01      0.929281D+01
   xx         0.114975D+03      0.170376D+02      0.189569D+02
   yx        -0.395703D+01     -0.586371D+00     -0.652426D+00
   yy         0.102783D+03      0.152309D+02      0.169467D+02
   zx         0.169253D+02      0.250808D+01      0.279061D+01
   zy        -0.419275D+01     -0.621302D+00     -0.691292D+00
   zz         0.154771D+03      0.229347D+02      0.255183D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.135717D+03      0.201111D+02      0.223767D+02
   aniso      0.668752D+02      0.990988D+01      0.110262D+02
   xx         0.124416D+03      0.184366D+02      0.205135D+02
   yx        -0.440367D+01     -0.652556D+00     -0.726067D+00
   yy         0.110654D+03      0.163973D+02      0.182445D+02
   zx         0.201983D+02      0.299308D+01      0.333025D+01
   zy        -0.493809D+01     -0.731749D+00     -0.814181D+00
   zz         0.172079D+03      0.254995D+02      0.283720D+02

 ----------------------------------------------------------------------
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 0.00000001,0.00000142,0.00000234,0.00000715,-0.00000076,-0.00000180,0.
 00000988,0.00000123,0.00000130,0.00000190,0.00000400,0.00000012,-0.000
 00138,-0.00000278,0.00000393,-0.00000856,-0.00000044,0.00000250,-0.000
 00978,-0.00000014,-0.00000427,-0.00000490,0.00000545,0.00000101,-0.000
 00118,0.00000146,0.00000185,0.00000099,0.00000096,0.00000061,0.0000008
 1,-0.00000253\\\@


 THERE IS AN OLD, OLD RECIPE IN MAINE FOR STEWING COOT. PLACE THE
 BIRD IN A KETTLE OF WATER WITH A RED BUILDING BRICK FREE OF MORTAR AND
 BLEMISHES. PARBOIL THE COOT AND BRICK TOGETHER FOR THREE HOURS.
 POUR OFF THE WATER, REFILL THE KETTLE, AND AGAIN PARBOIL FOR THREE HOURS.
 ONCE AGAIN POUR OFF THE WATER, FOR THE LAST TIME ADD FRESH WATER,
 AND LET THE COOT AND BRICK SIMMER TOGETHER OVERNIGHT. IN THE MORNING,
 THROW AWAY THE COOT AND EAT THE BRICK.
 Job cpu time:       0 days  6 hours  3 minutes 49.8 seconds.
 Elapsed time:       0 days  0 hours 45 minutes 36.1 seconds.
 File lengths (MBytes):  RWF=    477 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:42:44 2021.
